2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine

C13H14BrNS — CID 79016135

IUPAC2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine
SMILESNCC(Cc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C13H14BrNS/c14-12-4-1-3-10(7-12)11(9-15)8-13-5-2-6-16-13/h1-7,11H,8-9,15H2
InChIKeyQNTXDRSMFLRKQV-UHFFFAOYSA-N
MW296.23 g/mol
LogP3.80
Rot. Bonds4

About 2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine

2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 79016135) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID79016135
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine
SMILESNCC(Cc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C13H14BrNS/c14-12-4-1-3-10(7-12)11(9-15)8-13-5-2-6-16-13/h1-7,11H,8-9,15H2
InChIKeyQNTXDRSMFLRKQV-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-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-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol
CID 65188291
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine
CID 79442545
2-(3-bromophenyl)-4-ethylhexan-1-amine
CID 82929806
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene
CID 79431470
(4S)-5-amino-4-(3-bromophenyl)pentan-2-one
CID 166707434
2-(3-bromophenyl)-3-(3-ethoxyphenyl)propan-1-amine
CID 83975343
2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 79443440
2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine
CID 79442687
5-[2-(3-bromophenyl)-3-chloropropyl]-1,3-thiazole
CID 112645361
3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416744

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine (CID 79016135) is 2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine is NCC(Cc1cccs1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is QNTXDRSMFLRKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c14-12-4-1-3-10(7-12)11(9-15)8-13-5-2-6-16-13/h1-7,11H,8-9,15H2.
What are the key properties of 2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine?
2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 296.23 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79016135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).