6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine

C16H23NO — CID 83057726

IUPAC6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)C2C3CCCC32)cc1C
InChIInChI=1S/C16H23NO/c1-9-7-11(8-10(2)16(9)18-3)15(17)14-12-5-4-6-13(12)14/h7-8,12-15H,4-6,17H2,1-3H3
InChIKeyMHKLWQUMZREAKF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.36
Rot. Bonds3

About 6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine

6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine (PubChem CID 83057726) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine
PubChem CID83057726
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)C2C3CCCC32)cc1C
InChIInChI=1S/C16H23NO/c1-9-7-11(8-10(2)16(9)18-3)15(17)14-12-5-4-6-13(12)14/h7-8,12-15H,4-6,17H2,1-3H3
InChIKeyMHKLWQUMZREAKF-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine (CID 83057726) is 6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine is COc1c(C)cc(C(N)C2C3CCCC32)cc1C.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine?
The InChIKey is MHKLWQUMZREAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-9-7-11(8-10(2)16(9)18-3)15(17)14-12-5-4-6-13(12)14/h7-8,12-15H,4-6,17H2,1-3H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine?
6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(4-methoxy-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 83057726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).