4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine

C16H24FNO — CID 115829847

IUPAC4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CC(N)CCC2CCCC2)cc1F
InChIInChI=1S/C16H24FNO/c1-19-16-9-7-13(11-15(16)17)10-14(18)8-6-12-4-2-3-5-12/h7,9,11-12,14H,2-6,8,10,18H2,1H3
InChIKeyMJKXBJZALKXTRW-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.67
Rot. Bonds6

About 4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine

4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine (PubChem CID 115829847) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
PubChem CID115829847
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CC(N)CCC2CCCC2)cc1F
InChIInChI=1S/C16H24FNO/c1-19-16-9-7-13(11-15(16)17)10-14(18)8-6-12-4-2-3-5-12/h7,9,11-12,14H,2-6,8,10,18H2,1H3
InChIKeyMJKXBJZALKXTRW-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168395
4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 115829566
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine
CID 115818846
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
CID 105122506
[1-cyclooctyl-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105255092
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829604
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
1-(3-fluoro-4-methoxyphenyl)-5-phenylpentan-2-amine
CID 105122085

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine?
The IUPAC name of 4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine (CID 115829847) is 4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine?
The canonical SMILES for 4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine is COc1ccc(CC(N)CCC2CCCC2)cc1F.
What is the InChIKey of 4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine?
The InChIKey is MJKXBJZALKXTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-19-16-9-7-13(11-15(16)17)10-14(18)8-6-12-4-2-3-5-12/h7,9,11-12,14H,2-6,8,10,18H2,1H3.
What are the key properties of 4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine?
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine has a molecular weight of 265.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 115829847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).