1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine

C13H18FNO — CID 84789200

IUPAC1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)c(C)cc1F
InChIInChI=1S/C13H18FNO/c1-9-7-11(14)12(16-2)8-10(9)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyOQSNCRTUNYADGJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.87
Rot. Bonds2

About 1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine

1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine (PubChem CID 84789200) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
PubChem CID84789200
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)c(C)cc1F
InChIInChI=1S/C13H18FNO/c1-9-7-11(14)12(16-2)8-10(9)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyOQSNCRTUNYADGJ-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916
5-(1-aminocyclopentyl)-2-fluoro-4-methylphenol
CID 84780716
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopropan-1-ol
CID 84773917
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526
1-(4-chloro-5-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84791905
1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480325
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(2-fluoro-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84767927

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine (CID 84789200) is 1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine is COc1cc(C2(N)CCCC2)c(C)cc1F.
What is the InChIKey of 1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine?
The InChIKey is OQSNCRTUNYADGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-7-11(14)12(16-2)8-10(9)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine?
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 84789200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).