1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine

C15H21BrFN — CID 115818846

IUPAC1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine
SMILESNC(CCC1CCCC1)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H21BrFN/c16-14-10-12(6-8-15(14)17)9-13(18)7-5-11-3-1-2-4-11/h6,8,10-11,13H,1-5,7,9,18H2
InChIKeyCJAPZHKPACZOEB-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.43
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine

1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine (PubChem CID 115818846) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine
PubChem CID115818846
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine
SMILESNC(CCC1CCCC1)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H21BrFN/c16-14-10-12(6-8-15(14)17)9-13(18)7-5-11-3-1-2-4-11/h6,8,10-11,13H,1-5,7,9,18H2
InChIKeyCJAPZHKPACZOEB-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
CID 63527017
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine
CID 103052907
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422
4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
CID 61080006
[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974
1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
CID 115862330
2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene
CID 106203749
1-(3-bromo-4-fluorophenyl)-3-tert-butylsulfanylpropan-2-amine
CID 65132326
1-(3-bromo-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115818682
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424348

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine (CID 115818846) is 1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine is NC(CCC1CCCC1)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine?
The InChIKey is CJAPZHKPACZOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c16-14-10-12(6-8-15(14)17)9-13(18)7-5-11-3-1-2-4-11/h6,8,10-11,13H,1-5,7,9,18H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine?
1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine has a molecular weight of 314.24 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine is sourced from PubChem (CID 115818846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).