1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine

C17H27NO2 — CID 62788660

IUPAC1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine
SMILESCCOc1ccc(C2(N)CCC(C)CC2)cc1OCC
InChIInChI=1S/C17H27NO2/c1-4-19-15-7-6-14(12-16(15)20-5-2)17(18)10-8-13(3)9-11-17/h6-7,12-13H,4-5,8-11,18H2,1-3H3
InChIKeyGIAXKZSZHHQLGI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.85
Rot. Bonds5

About 1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine

1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine (PubChem CID 62788660) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine
PubChem CID62788660
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine
SMILESCCOc1ccc(C2(N)CCC(C)CC2)cc1OCC
InChIInChI=1S/C17H27NO2/c1-4-19-15-7-6-14(12-16(15)20-5-2)17(18)10-8-13(3)9-11-17/h6-7,12-13H,4-5,8-11,18H2,1-3H3
InChIKeyGIAXKZSZHHQLGI-UHFFFAOYSA-N
XLogP3.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-diethoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081082
1-(3,4-diethoxyphenyl)cyclopropan-1-amine
CID 116989285
1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80693589
1-(3,4-diethoxyphenyl)-3,5-dimethylcyclohexan-1-ol
CID 64735758
1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol
CID 64746862
1-(3,4-diethoxyphenyl)-2,3-dimethylcyclohexan-1-ol
CID 64756632
4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine
CID 65081135
4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol
CID 114501902
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 134541422
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259718
3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine
CID 64908099

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine (CID 62788660) is 1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine is CCOc1ccc(C2(N)CCC(C)CC2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine?
The InChIKey is GIAXKZSZHHQLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-19-15-7-6-14(12-16(15)20-5-2)17(18)10-8-13(3)9-11-17/h6-7,12-13H,4-5,8-11,18H2,1-3H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine?
1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62788660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).