1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine

C18H27NO — CID 117436622

IUPAC1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1ccc(C2CCCC2)cc1C1(N)CCCCC1
InChIInChI=1S/C18H27NO/c1-20-17-10-9-15(14-7-3-4-8-14)13-16(17)18(19)11-5-2-6-12-18/h9-10,13-14H,2-8,11-12,19H2,1H3
InChIKeyADNMCINJTFOQQO-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.47
Rot. Bonds3

About 1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine

1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine (PubChem CID 117436622) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine
PubChem CID117436622
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1ccc(C2CCCC2)cc1C1(N)CCCCC1
InChIInChI=1S/C18H27NO/c1-20-17-10-9-15(14-7-3-4-8-14)13-16(17)18(19)11-5-2-6-12-18/h9-10,13-14H,2-8,11-12,19H2,1H3
InChIKeyADNMCINJTFOQQO-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-cyclohexyl-2-methoxyphenyl)cyclohexan-1-amine
CID 117464165
1-(5-cyclohexyl-2-methoxyphenyl)cyclobutan-1-amine
CID 117402785
1-[1-(5-cyclopentyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117402808
4-cyclopentyl-2-(1-isocyanatocyclopentyl)-1-methoxybenzene
CID 117459837
1-(3-cyclohexyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117436595
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(4-cyclopentylphenyl)cyclohexan-1-amine
CID 117360957
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclopentan-1-amine
CID 117347443
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-(3-cycloheptylphenyl)cyclopentan-1-amine
CID 117397299
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine (CID 117436622) is 1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine is COc1ccc(C2CCCC2)cc1C1(N)CCCCC1.
What is the InChIKey of 1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine?
The InChIKey is ADNMCINJTFOQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-20-17-10-9-15(14-7-3-4-8-14)13-16(17)18(19)11-5-2-6-12-18/h9-10,13-14H,2-8,11-12,19H2,1H3.
What are the key properties of 1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine?
1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyl-2-methoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117436622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).