N-Methyl-N-propargylbenzylamine Hydrochloride

Introduction

CAS No. :	306-07-0	MDL No. :	MFCD00012492
Formula :	C11H14ClN	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BCXCABRDBBWWGY-UHFFFAOYSA-N
M.W :	195.69	Pubchem ID :	9373
Synonyms :	Pargyline (hydrochloride);Pargyline hydrochloride;Pargyline;N-Methyl-N-propargylbenzylamine hydrochloride;Eutonyl-ten;N-benzyl-N-methylprop-2-yn-1-amine hydrochloride;NSC 43798;Pargylamine hydrochloride	Chemical Name :	N-Methyl-N-propargylbenzylamine Hydrochloride

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.27
Num. rotatable bonds :	3
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	58.66
TPSA :	3.24 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.43 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.9
Log Po/w (WLOGP) :	2.48
Log Po/w (MLOGP) :	2.97
Log Po/w (SILICOS-IT) :	2.27
Consensus Log Po/w :	2.12

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.02
Solubility :	0.185 mg/ml ; 0.000947 mol/l
Class :	Soluble
Log S (Ali) :	-2.63
Solubility :	0.46 mg/ml ; 0.00235 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.0
Solubility :	0.195 mg/ml ; 0.000998 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.38

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P301+P310	UN#:	2811
Hazard Statements:	H301	Packing Group:	Ⅲ
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine