(1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine

C14H19NO — CID 10751254

IUPAC(1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine
SMILESCOC1(N(C)c2ccccc2)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H19NO/c1-15(11-7-4-3-5-8-11)14(16-2)12-9-6-10-13(12)14/h3-5,7-8,12-13H,6,9-10H2,1-2H3/t12-,13+,14?
InChIKeyYMKOLXKYRKAVLR-PBWFPOADSA-N
MW217.31 g/mol
LogP2.90
Rot. Bonds3

About (1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine

(1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine (PubChem CID 10751254) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine
PubChem CID10751254
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine
SMILESCOC1(N(C)c2ccccc2)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H19NO/c1-15(11-7-4-3-5-8-11)14(16-2)12-9-6-10-13(12)14/h3-5,7-8,12-13H,6,9-10H2,1-2H3/t12-,13+,14?
InChIKeyYMKOLXKYRKAVLR-PBWFPOADSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine
CID 71419565
1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117252
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
1-(N-methylanilino)cyclopentane-1-carboxylic acid
CID 114988662
N-cyclohexyl-4-methyl-N-phenylaniline
CID 58662978
6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol
CID 79331149
ethene;N-methyl-N-phenylaniline
CID 144541479
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
2-(N-methylanilino)-2-prop-2-enylcyclobutan-1-one
CID 132850827

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine (CID 10751254) is (1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine is COC1(N(C)c2ccccc2)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine?
The InChIKey is YMKOLXKYRKAVLR-PBWFPOADSA-N. The full InChI is InChI=1S/C14H19NO/c1-15(11-7-4-3-5-8-11)14(16-2)12-9-6-10-13(12)14/h3-5,7-8,12-13H,6,9-10H2,1-2H3/t12-,13+,14?.
What are the key properties of (1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine?
(1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine has a molecular weight of 217.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-methoxy-N-methyl-N-phenylbicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 10751254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).