1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine

C15H23NO — CID 64751441

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

About 1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine

1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64751441) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine
PubChem CID64751441
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine
SMILESCOc1ccc(C2(N)CC(C)CC(C)C2)cc1
InChIInChI=1S/C15H23NO/c1-11-8-12(2)10-15(16,9-11)13-4-6-14(17-3)7-5-13/h4-7,11-12H,8-10,16H2,1-3H3
InChIKeyHDEKTEWZKIAOGK-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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Related Compounds

3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 64751453
1-(4-chlorophenyl)-3,5-dimethylcyclohexan-1-amine
CID 64751648
1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine
CID 64733935
3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine
CID 65004013
3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol
CID 115025190
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005732
1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 54919370
1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene
CID 20692114
(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
CID 105445465
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-amine
CID 65090015
1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794519

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine (CID 64751441) is 1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine is COc1ccc(C2(N)CC(C)CC(C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is HDEKTEWZKIAOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-8-12(2)10-15(16,9-11)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)-3,5-dimethylcyclohexan-1-amine?
1-(4-methoxyphenyl)-3,5-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)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64751441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).