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

C14H19BrFN — CID 115843237

IUPAC1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
SMILESNC(Cc1ccc(F)cc1Br)CC1CCCC1
InChIInChI=1S/C14H19BrFN/c15-14-9-12(16)6-5-11(14)8-13(17)7-10-3-1-2-4-10/h5-6,9-10,13H,1-4,7-8,17H2
InChIKeySOEVESGVBMGKRM-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.04
Rot. Bonds4

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

1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine (PubChem CID 115843237) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
PubChem CID115843237
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
SMILESNC(Cc1ccc(F)cc1Br)CC1CCCC1
InChIInChI=1S/C14H19BrFN/c15-14-9-12(16)6-5-11(14)8-13(17)7-10-3-1-2-4-10/h5-6,9-10,13H,1-4,7-8,17H2
InChIKeySOEVESGVBMGKRM-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine
CID 102622536
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105377006
2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol
CID 62605945
2-(2-bromo-4-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 80626889
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117
3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid
CID 112569192
2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine
CID 65413527
2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107188309
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573
[1-(2-bromo-4-fluorophenyl)-2-cyclohexylethyl]hydrazine
CID 105296167
[2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233480
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine (CID 115843237) is 1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine is NC(Cc1ccc(F)cc1Br)CC1CCCC1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine?
The InChIKey is SOEVESGVBMGKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c15-14-9-12(16)6-5-11(14)8-13(17)7-10-3-1-2-4-10/h5-6,9-10,13H,1-4,7-8,17H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine?
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine has a molecular weight of 300.21 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine is sourced from PubChem (CID 115843237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).