[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine

C14H21NO2 — CID 82026903

IUPAC[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
SMILESCOc1cc(OC)cc(C2(CN)CCCC2)c1
InChIInChI=1S/C14H21NO2/c1-16-12-7-11(8-13(9-12)17-2)14(10-15)5-3-4-6-14/h7-9H,3-6,10,15H2,1-2H3
InChIKeyXAUVNNLPQLHHRW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.47
Rot. Bonds4

About [1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine

[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine (PubChem CID 82026903) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
PubChem CID82026903
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
SMILESCOc1cc(OC)cc(C2(CN)CCCC2)c1
InChIInChI=1S/C14H21NO2/c1-16-12-7-11(8-13(9-12)17-2)14(10-15)5-3-4-6-14/h7-9H,3-6,10,15H2,1-2H3
InChIKeyXAUVNNLPQLHHRW-UHFFFAOYSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine
CID 94690530
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
CID 117418082
N-methyl-1-(3,4,5-trimethoxyphenyl)cyclopentan-1-amine;[1-(3,4,5-trimethoxyphenyl)cyclopentyl]methanamine
CID 68606690
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine (CID 82026903) is [1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine is COc1cc(OC)cc(C2(CN)CCCC2)c1.
What is the InChIKey of [1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine?
The InChIKey is XAUVNNLPQLHHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-12-7-11(8-13(9-12)17-2)14(10-15)5-3-4-6-14/h7-9H,3-6,10,15H2,1-2H3.
What are the key properties of [1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine?
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 82026903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).