3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine

C13H18FNO — CID 115034038

IUPAC3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine
SMILESCOc1cccc(C2(N)CCC(C)(F)C2)c1
InChIInChI=1S/C13H18FNO/c1-12(14)6-7-13(15,9-12)10-4-3-5-11(8-10)16-2/h3-5,8H,6-7,9,15H2,1-2H3
InChIKeyOZETYMZZOYUUGA-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.76
Rot. Bonds2

About 3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine

3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine (PubChem CID 115034038) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine
PubChem CID115034038
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine
SMILESCOc1cccc(C2(N)CCC(C)(F)C2)c1
InChIInChI=1S/C13H18FNO/c1-12(14)6-7-13(15,9-12)10-4-3-5-11(8-10)16-2/h3-5,8H,6-7,9,15H2,1-2H3
InChIKeyOZETYMZZOYUUGA-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692869
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005245
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
CID 64997497
1-[3-(4-methoxyphenyl)phenyl]cyclopropan-1-amine
CID 167713468
1-(3-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79679338
3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine
CID 115035973
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
1-(3-chlorophenyl)-3-fluoro-3-methylcyclobutan-1-amine
CID 115028526
1-[3-(2-methoxyethoxy)phenyl]cyclopropan-1-amine
CID 165348196

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine?
The IUPAC name of 3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine (CID 115034038) is 3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine is COc1cccc(C2(N)CCC(C)(F)C2)c1.
What is the InChIKey of 3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine?
The InChIKey is OZETYMZZOYUUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-12(14)6-7-13(15,9-12)10-4-3-5-11(8-10)16-2/h3-5,8H,6-7,9,15H2,1-2H3.
What are the key properties of 3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine?
3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 115034038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).