1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine

C17H27NO2 — CID 117444886

IUPAC1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCOc1cc(C2(N)CCCCC2)c(OC)cc1C(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)13-10-16(20-4)14(11-15(13)19-3)17(18)8-6-5-7-9-17/h10-12H,5-9,18H2,1-4H3
InChIKeyGQTQTHRBAXVSKA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.95
Rot. Bonds4

About 1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine

1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine (PubChem CID 117444886) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
PubChem CID117444886
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCOc1cc(C2(N)CCCCC2)c(OC)cc1C(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)13-10-16(20-4)14(11-15(13)19-3)17(18)8-6-5-7-9-17/h10-12H,5-9,18H2,1-4H3
InChIKeyGQTQTHRBAXVSKA-UHFFFAOYSA-N
XLogP3.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-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-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine
CID 117421996
1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117418048
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine
CID 117444888
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine
CID 117381647
2-(1-aminocyclohexyl)-5-chloro-4-methoxyphenol
CID 117392379
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclopentan-1-amine
CID 117347443

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine (CID 117444886) is 1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine is COc1cc(C2(N)CCCCC2)c(OC)cc1C(C)C.
What is the InChIKey of 1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine?
The InChIKey is GQTQTHRBAXVSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)13-10-16(20-4)14(11-15(13)19-3)17(18)8-6-5-7-9-17/h10-12H,5-9,18H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine?
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117444886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).