[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine

C15H23NO2 — CID 117377436

IUPAC[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
SMILESCOc1cc(OC)c(C)c(C2(CN)CCCC2)c1
InChIInChI=1S/C15H23NO2/c1-11-13(15(10-16)6-4-5-7-15)8-12(17-2)9-14(11)18-3/h8-9H,4-7,10,16H2,1-3H3
InChIKeyVEQDOKNQEDQXOH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.78
Rot. Bonds4

About [1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine

[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine (PubChem CID 117377436) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
PubChem CID117377436
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
SMILESCOc1cc(OC)c(C)c(C2(CN)CCCC2)c1
InChIInChI=1S/C15H23NO2/c1-11-13(15(10-16)6-4-5-7-15)8-12(17-2)9-14(11)18-3/h8-9H,4-7,10,16H2,1-3H3
InChIKeyVEQDOKNQEDQXOH-UHFFFAOYSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428383
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine
CID 84779618
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
CID 117343193
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine (CID 117377436) is [1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine is COc1cc(OC)c(C)c(C2(CN)CCCC2)c1.
What is the InChIKey of [1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine?
The InChIKey is VEQDOKNQEDQXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-13(15(10-16)6-4-5-7-15)8-12(17-2)9-14(11)18-3/h8-9H,4-7,10,16H2,1-3H3.
What are the key properties of [1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine?
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117377436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).