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

C15H23NO2 — CID 117377027

IUPAC[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
SMILESCOc1cc(C)cc(C2(CN)CCCC2)c1OC
InChIInChI=1S/C15H23NO2/c1-11-8-12(14(18-3)13(9-11)17-2)15(10-16)6-4-5-7-15/h8-9H,4-7,10,16H2,1-3H3
InChIKeyXFOFRTZWECPVHM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.78
Rot. Bonds4

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

[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine (PubChem CID 117377027) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
PubChem CID117377027
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
SMILESCOc1cc(C)cc(C2(CN)CCCC2)c1OC
InChIInChI=1S/C15H23NO2/c1-11-8-12(14(18-3)13(9-11)17-2)15(10-16)6-4-5-7-15/h8-9H,4-7,10,16H2,1-3H3
InChIKeyXFOFRTZWECPVHM-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-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine
CID 96679652
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
CID 117351120
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine (CID 117377027) is [1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine is COc1cc(C)cc(C2(CN)CCCC2)c1OC.
What is the InChIKey of [1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine?
The InChIKey is XFOFRTZWECPVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-12(14(18-3)13(9-11)17-2)15(10-16)6-4-5-7-15/h8-9H,4-7,10,16H2,1-3H3.
What are the key properties of [1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine?
[1-(2,3-dimethoxy-5-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-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117377027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).