1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine

C14H21NO2 — CID 117342967

IUPAC1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
SMILESCOc1ccc(C2(N)CCCC2)c(C)c1OC
InChIInChI=1S/C14H21NO2/c1-10-11(14(15)8-4-5-9-14)6-7-12(16-2)13(10)17-3/h6-7H,4-5,8-9,15H2,1-3H3
InChIKeyVVKCCQIRPMLGGR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.74
Rot. Bonds3

About 1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine

1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine (PubChem CID 117342967) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
PubChem CID117342967
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
SMILESCOc1ccc(C2(N)CCCC2)c(C)c1OC
InChIInChI=1S/C14H21NO2/c1-10-11(14(15)8-4-5-9-14)6-7-12(16-2)13(10)17-3/h6-7H,4-5,8-9,15H2,1-3H3
InChIKeyVVKCCQIRPMLGGR-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 117422276
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
CID 117298428
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117347352
1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117448254
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine (CID 117342967) is 1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine is COc1ccc(C2(N)CCCC2)c(C)c1OC.
What is the InChIKey of 1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine?
The InChIKey is VVKCCQIRPMLGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-11(14(15)8-4-5-9-14)6-7-12(16-2)13(10)17-3/h6-7H,4-5,8-9,15H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine?
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117342967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).