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

C14H19BrFNS — CID 65138710

IUPAC1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine
SMILESNC(CSC1CCCC1)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFNS/c15-11-6-5-10(14(16)8-11)7-12(17)9-18-13-3-1-2-4-13/h5-6,8,12-13H,1-4,7,9,17H2
InChIKeyIQTISWXUBPMDBU-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.13
Rot. Bonds5

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

1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine (PubChem CID 65138710) has the molecular formula C14H19BrFNS and a molecular weight of 332.28 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine
PubChem CID65138710
Molecular FormulaC14H19BrFNS
Molecular Weight332.28 g/mol
Exact Mass331.04
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine
SMILESNC(CSC1CCCC1)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFNS/c15-11-6-5-10(14(16)8-11)7-12(17)9-18-13-3-1-2-4-13/h5-6,8,12-13H,1-4,7,9,17H2
InChIKeyIQTISWXUBPMDBU-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-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-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 65139451
1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine
CID 65139996
2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine
CID 65399396
1-cyclopentylsulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932106
3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride
CID 170892207
1-cyclohexylsulfanyl-3-(4-fluorophenyl)propan-2-amine
CID 65139947
N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine
CID 115926774
1-(3-bromo-2,6-difluorophenyl)-2-cyclopentylsulfanylethanamine
CID 106942562
1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66056883
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295
1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine
CID 114855831
[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227417

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine (CID 65138710) is 1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine is NC(CSC1CCCC1)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine?
The InChIKey is IQTISWXUBPMDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNS/c15-11-6-5-10(14(16)8-11)7-12(17)9-18-13-3-1-2-4-13/h5-6,8,12-13H,1-4,7,9,17H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine?
1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine has a molecular weight of 332.28 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-cyclopentylsulfanylpropan-2-amine is sourced from PubChem (CID 65138710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).