[1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine

C19H29NO — CID 117464146

IUPAC[1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine
SMILESCc1cccc(OC2CCCC2)c1C1(CN)CCCCC1
InChIInChI=1S/C19H29NO/c1-15-8-7-11-17(21-16-9-3-4-10-16)18(15)19(14-20)12-5-2-6-13-19/h7-8,11,16H,2-6,9-10,12-14,20H2,1H3
InChIKeyUWSINBGAZRRZGZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.48
Rot. Bonds4

About [1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine

[1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine (PubChem CID 117464146) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is [1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine
PubChem CID117464146
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name[1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine
SMILESCc1cccc(OC2CCCC2)c1C1(CN)CCCCC1
InChIInChI=1S/C19H29NO/c1-15-8-7-11-17(21-16-9-3-4-10-16)18(15)19(14-20)12-5-2-6-13-19/h7-8,11,16H,2-6,9-10,12-14,20H2,1H3
InChIKeyUWSINBGAZRRZGZ-UHFFFAOYSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine (CID 117464146) is [1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine is Cc1cccc(OC2CCCC2)c1C1(CN)CCCCC1.
What is the InChIKey of [1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine?
The InChIKey is UWSINBGAZRRZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15-8-7-11-17(21-16-9-3-4-10-16)18(15)19(14-20)12-5-2-6-13-19/h7-8,11,16H,2-6,9-10,12-14,20H2,1H3.
What are the key properties of [1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine?
[1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine has a molecular weight of 287.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclopentyloxy-6-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117464146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).