7-Methyl-1,2,3,4-tetrahydroquinolin-8-amine

Introduction

CAS No. :	160431-49-2	MDL No. :	MFCD06496092
Formula :	C10H14N2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	NXIPDLJDMOVORS-UHFFFAOYSA-N
M.W :	162.23	Pubchem ID :	2766285
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.4
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	2.0
Molar Refractivity :	55.71
TPSA :	38.05 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.88 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.63
Log Po/w (XLOGP3) :	1.98
Log Po/w (WLOGP) :	1.37
Log Po/w (MLOGP) :	1.71
Log Po/w (SILICOS-IT) :	2.16
Consensus Log Po/w :	1.77

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.46
Solubility :	0.558 mg/ml ; 0.00344 mol/l
Class :	Soluble
Log S (Ali) :	-2.4
Solubility :	0.639 mg/ml ; 0.00394 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.3
Solubility :	0.0819 mg/ml ; 0.000505 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.67

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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