(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane

C12H15N — CID 90840976

IUPAC(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCc1ccc(C23CNC[C@H]2C3)cc1
InChIInChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3/t11-,12?/m1/s1
InChIKeyOFYVIGTWSQPCLF-JHJMLUEUSA-N
MW173.26 g/mol
LogP1.86
Rot. Bonds1

About (5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane

(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 90840976) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
PubChem CID90840976
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCc1ccc(C23CNC[C@H]2C3)cc1
InChIInChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3/t11-,12?/m1/s1
InChIKeyOFYVIGTWSQPCLF-JHJMLUEUSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.86
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
1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 84770532
(1R)-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane
CID 143307302
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
(1S,5R)-1-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 154558007
1-(2-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 66671185
1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 86062450
1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 68950658
6-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane
CID 175861742
1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane
CID 84776453

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane (CID 90840976) is (5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane is Cc1ccc(C23CNC[C@H]2C3)cc1.
What is the InChIKey of (5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is OFYVIGTWSQPCLF-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3/t11-,12?/m1/s1.
What are the key properties of (5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane?
(5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 173.26 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 90840976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).