(R)-2-(Methylamino)propan-1-ol hydrochloride

Introduction

CAS No. :	152230-64-3	MDL No. :	MFCD27937863
Formula :	C4H12ClNO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZDLYDAGNAVKVBZ-PGMHMLKASA-N
M.W :	125.60	Pubchem ID :	87811967
Synonyms :

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	32.27
TPSA :	32.26 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.82 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.35
Log Po/w (WLOGP) :	0.39
Log Po/w (MLOGP) :	0.23
Log Po/w (SILICOS-IT) :	-0.36
Consensus Log Po/w :	0.12

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.71
Solubility :	24.6 mg/ml ; 0.196 mol/l
Class :	Very soluble
Log S (Ali) :	-0.59
Solubility :	32.1 mg/ml ; 0.256 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.48
Solubility :	41.1 mg/ml ; 0.327 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.14

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

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