9,9-Dimethyl-9H-fluoren-2-amine

Introduction

CAS No. :	108714-73-4	MDL No. :	MFCD09953790
Formula :	C15H15N	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GUTJITRKAMCHSD-UHFFFAOYSA-N
M.W :	209.29	Pubchem ID :	22617093
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.2
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	1.0
Molar Refractivity :	68.79
TPSA :	26.02 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.92 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.31
Log Po/w (XLOGP3) :	3.74
Log Po/w (WLOGP) :	3.58
Log Po/w (MLOGP) :	3.47
Log Po/w (SILICOS-IT) :	3.77
Consensus Log Po/w :	3.38

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.05
Solubility :	0.0187 mg/ml ; 0.0000894 mol/l
Class :	Moderately soluble
Log S (Ali) :	-3.98
Solubility :	0.022 mg/ml ; 0.000105 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.6
Solubility :	0.000529 mg/ml ; 0.00000253 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.17

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

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