1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine

C13H18FNO2 — CID 84799752

IUPAC1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)cc(OC)c1F
InChIInChI=1S/C13H18FNO2/c1-16-10-7-9(8-11(17-2)12(10)14)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyNVQLDXBCLUKFMF-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.57
Rot. Bonds3

About 1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine

1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine (PubChem CID 84799752) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
PubChem CID84799752
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)cc(OC)c1F
InChIInChI=1S/C13H18FNO2/c1-16-10-7-9(8-11(17-2)12(10)14)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyNVQLDXBCLUKFMF-UHFFFAOYSA-N
XLogP2.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117483760
1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117320267
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine
CID 117347276
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784320
1-(2,3,6-trifluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117333727
1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
CID 43146596
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine (CID 84799752) is 1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine is COc1cc(C2(N)CCCC2)cc(OC)c1F.
What is the InChIKey of 1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine?
The InChIKey is NVQLDXBCLUKFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-10-7-9(8-11(17-2)12(10)14)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine?
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine has a molecular weight of 239.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 84799752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).