[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine

C15H23NO2 — CID 82499041

IUPAC[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
SMILESCOc1cc(C2(CN)CCCC2)c(OC)cc1C
InChIInChI=1S/C15H23NO2/c1-11-8-14(18-3)12(9-13(11)17-2)15(10-16)6-4-5-7-15/h8-9H,4-7,10,16H2,1-3H3
InChIKeyYAVGALJNDSRKCE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.78
Rot. Bonds4

About [1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine

[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine (PubChem CID 82499041) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
PubChem CID82499041
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
SMILESCOc1cc(C2(CN)CCCC2)c(OC)cc1C
InChIInChI=1S/C15H23NO2/c1-11-8-14(18-3)12(9-13(11)17-2)15(10-16)6-4-5-7-15/h8-9H,4-7,10,16H2,1-3H3
InChIKeyYAVGALJNDSRKCE-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-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine (CID 82499041) is [1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine is COc1cc(C2(CN)CCCC2)c(OC)cc1C.
What is the InChIKey of [1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine?
The InChIKey is YAVGALJNDSRKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-14(18-3)12(9-13(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-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine?
[1-(2,5-dimethoxy-4-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-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 82499041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).