(1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane

C12H15N — CID 130763524

IUPAC(1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane
SMILESC[C@H]1[C@H]2CNC[C@]21c1ccccc1
InChIInChI=1S/C12H15N/c1-9-11-7-13-8-12(9,11)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11+,12-/m0/s1
InChIKeyOHAOCKLOZLTTRY-WCQGTBRESA-N
MW173.26 g/mol
LogP1.79
Rot. Bonds1

About (1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane

(1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane (PubChem CID 130763524) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane
PubChem CID130763524
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane
SMILESC[C@H]1[C@H]2CNC[C@]21c1ccccc1
InChIInChI=1S/C12H15N/c1-9-11-7-13-8-12(9,11)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11+,12-/m0/s1
InChIKeyOHAOCKLOZLTTRY-WCQGTBRESA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-methoxy-1-(1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methanimine
CID 56947880
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
ethane;1-phenyl-3-azabicyclo[3.2.0]heptane
CID 143290504
(3aS,4S,7aS)-4,7,7-triphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-ol
CID 15289539
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
4-methyl-4-phenylpyrrolidine-3-carboxylic acid
CID 63940767
5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane
CID 12501982
1-phenyl-3-azabicyclo[3.2.0]heptane
CID 84766513
6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
CID 56667523
(1S,5S,6S)-6-(methoxymethyl)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
CID 45380184

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane (CID 130763524) is (1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane is C[C@H]1[C@H]2CNC[C@]21c1ccccc1.
What is the InChIKey of (1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is OHAOCKLOZLTTRY-WCQGTBRESA-N. The full InChI is InChI=1S/C12H15N/c1-9-11-7-13-8-12(9,11)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11+,12-/m0/s1.
What are the key properties of (1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane?
(1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 173.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 130763524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).