6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane

C18H19N — CID 142422787

IUPAC6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCC1C2CN(c3cccc(-c4ccccc4)c3)CC12
InChIInChI=1S/C18H19N/c1-13-17-11-19(12-18(13)17)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-10,13,17-18H,11-12H2,1H3
InChIKeyFGWGCIQMQLYVQZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.06
Rot. Bonds2

About 6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane

6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 142422787) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane
PubChem CID142422787
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCC1C2CN(c3cccc(-c4ccccc4)c3)CC12
InChIInChI=1S/C18H19N/c1-13-17-11-19(12-18(13)17)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-10,13,17-18H,11-12H2,1H3
InChIKeyFGWGCIQMQLYVQZ-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-butyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane
CID 153307051
1-[3-(3-tert-butylphenyl)phenyl]azetidine-3-carboxylic acid
CID 118325076
bis(1,3-diphenylbenzene);ethane
CID 144938975
1-[3-methyl-5-(3-piperidin-1-ylphenyl)phenyl]azetidine-3-carboxylic acid
CID 118331402
1-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone
CID 126559698
2,2,4,5-tetramethyl-1,3-bis(3-phenylphenyl)-1,3,2-diazasilole
CID 58249953
1,3-diphenylbenzene;ethane;methane
CID 171489435
(2R,6R)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 165121156
(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 59545911
1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole]
CID 58249979
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
1-[3-(4-chlorophenyl)phenyl]pyrrolidine
CID 168512665

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane (CID 142422787) is 6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane is CC1C2CN(c3cccc(-c4ccccc4)c3)CC12.
What is the InChIKey of 6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is FGWGCIQMQLYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-13-17-11-19(12-18(13)17)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-10,13,17-18H,11-12H2,1H3.
What are the key properties of 6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane?
6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 249.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 142422787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).