4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine

C15H22FN — CID 61080006

IUPAC4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
SMILESNC(CCC1CCCC1)Cc1ccccc1F
InChIInChI=1S/C15H22FN/c16-15-8-4-3-7-13(15)11-14(17)10-9-12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,9-11,17H2
InChIKeyAQONKHINLDELST-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.67
Rot. Bonds5

About 4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine

4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine (PubChem CID 61080006) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
PubChem CID61080006
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
SMILESNC(CCC1CCCC1)Cc1ccccc1F
InChIInChI=1S/C15H22FN/c16-15-8-4-3-7-13(15)11-14(17)10-9-12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,9-11,17H2
InChIKeyAQONKHINLDELST-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine
CID 103052907
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine
CID 65139996
1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179
1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine
CID 143151495
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645
1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
CID 63527017
1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine
CID 115818846
1-(2-fluorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine
CID 116627776
2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
CID 114832329
2-(2-fluorophenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425112
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butyl]pyrrolidine-2-carboxamide
CID 69136155

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine?
The IUPAC name of 4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine (CID 61080006) is 4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine.
What is the SMILES notation for 4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine?
The canonical SMILES for 4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine is NC(CCC1CCCC1)Cc1ccccc1F.
What is the InChIKey of 4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine?
The InChIKey is AQONKHINLDELST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c16-15-8-4-3-7-13(15)11-14(17)10-9-12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,9-11,17H2.
What are the key properties of 4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine?
4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine is sourced from PubChem (CID 61080006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).