1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine

C17H27NO2 — CID 117444888

IUPAC1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine
SMILESCCCc1cc(OC)c(C2(N)CCCCC2)cc1OC
InChIInChI=1S/C17H27NO2/c1-4-8-13-11-16(20-3)14(12-15(13)19-2)17(18)9-6-5-7-10-17/h11-12H,4-10,18H2,1-3H3
InChIKeyYZDFEOIGNCDHOL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.77
Rot. Bonds5

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

1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine (PubChem CID 117444888) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine
PubChem CID117444888
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine
SMILESCCCc1cc(OC)c(C2(N)CCCCC2)cc1OC
InChIInChI=1S/C17H27NO2/c1-4-8-13-11-16(20-3)14(12-15(13)19-2)17(18)9-6-5-7-10-17/h11-12H,4-10,18H2,1-3H3
InChIKeyYZDFEOIGNCDHOL-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117388014
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine
CID 117343241
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine
CID 117421996
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117488350
1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480325
1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117418048
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine (CID 117444888) is 1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine is CCCc1cc(OC)c(C2(N)CCCCC2)cc1OC.
What is the InChIKey of 1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine?
The InChIKey is YZDFEOIGNCDHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-8-13-11-16(20-3)14(12-15(13)19-2)17(18)9-6-5-7-10-17/h11-12H,4-10,18H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine?
1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.77, 5 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-propylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117444888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).