1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

C18H20ClN — CID 86062450

IUPAC1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.c1ccc(Cc2ccc(C34CNCC3C4)cc2)cc1
InChIInChI=1S/C18H19N.ClH/c1-2-4-14(5-3-1)10-15-6-8-16(9-7-15)18-11-17(18)12-19-13-18;/h1-9,17,19H,10-13H2;1H
InChIKeyVMTSJASVIGIDHM-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.56
Rot. Bonds3

About 1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 86062450) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID86062450
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.c1ccc(Cc2ccc(C34CNCC3C4)cc2)cc1
InChIInChI=1S/C18H19N.ClH/c1-2-4-14(5-3-1)10-15-6-8-16(9-7-15)18-11-17(18)12-19-13-18;/h1-9,17,19H,10-13H2;1H
InChIKeyVMTSJASVIGIDHM-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane
CID 13279027
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90822722
(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 90840976
(1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane
CID 143307302
(1S,5R)-1-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 154558007
1-phenyl-3-azabicyclo[3.2.0]heptane
CID 84766513
ethane;1-phenyl-3-azabicyclo[3.2.0]heptane
CID 143290504
1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 68950658
1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;hexane
CID 159699770
(1S,5S)-1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 98043441

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 86062450) is 1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is Cl.c1ccc(Cc2ccc(C34CNCC3C4)cc2)cc1.
What is the InChIKey of 1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is VMTSJASVIGIDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.ClH/c1-2-4-14(5-3-1)10-15-6-8-16(9-7-15)18-11-17(18)12-19-13-18;/h1-9,17,19H,10-13H2;1H.
What are the key properties of 1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 86062450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).