1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine

C15H23NO — CID 64733935

IUPAC1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine
SMILESCOc1ccc(C2(N)CCC(C)C(C)C2)cc1
InChIInChI=1S/C15H23NO/c1-11-8-9-15(16,10-12(11)2)13-4-6-14(17-3)7-5-13/h4-7,11-12H,8-10,16H2,1-3H3
InChIKeyVSTLDJGQQOTOMJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.31
Rot. Bonds2

About 1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine

1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine (PubChem CID 64733935) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine
PubChem CID64733935
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine
SMILESCOc1ccc(C2(N)CCC(C)C(C)C2)cc1
InChIInChI=1S/C15H23NO/c1-11-8-9-15(16,10-12(11)2)13-4-6-14(17-3)7-5-13/h4-7,11-12H,8-10,16H2,1-3H3
InChIKeyVSTLDJGQQOTOMJ-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine (CID 64733935) is 1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine is COc1ccc(C2(N)CCC(C)C(C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine?
The InChIKey is VSTLDJGQQOTOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-8-9-15(16,10-12(11)2)13-4-6-14(17-3)7-5-13/h4-7,11-12H,8-10,16H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine?
1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64733935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).