1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine

C12H16FNO — CID 82612097

IUPAC1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(F)ccc1C1(N)CCCC1
InChIInChI=1S/C12H16FNO/c1-15-11-8-9(13)4-5-10(11)12(14)6-2-3-7-12/h4-5,8H,2-3,6-7,14H2,1H3
InChIKeyVNHLQUDNXWTLIZ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.56
Rot. Bonds2

About 1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine

1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine (PubChem CID 82612097) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
PubChem CID82612097
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(F)ccc1C1(N)CCCC1
InChIInChI=1S/C12H16FNO/c1-15-11-8-9(13)4-5-10(11)12(14)6-2-3-7-12/h4-5,8H,2-3,6-7,14H2,1H3
InChIKeyVNHLQUDNXWTLIZ-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117320330
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870
4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
CID 82770544
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
CID 80503676
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
4-(1-aminocyclopropyl)-3-methoxyphenol
CID 84732182
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine (CID 82612097) is 1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine is COc1cc(F)ccc1C1(N)CCCC1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine?
The InChIKey is VNHLQUDNXWTLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-11-8-9(13)4-5-10(11)12(14)6-2-3-7-12/h4-5,8H,2-3,6-7,14H2,1H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine?
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 82612097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).