1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine

C15H18BrNS — CID 81398672

IUPAC1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1cccs1)c1cccc(Br)c1
InChIInChI=1S/C15H18BrNS/c1-3-14(12-6-4-7-13(16)10-12)17-11(2)15-8-5-9-18-15/h4-11,14,17H,3H2,1-2H3/t11-,14?/m0/s1
InChIKeyATAYQFCTHOVJHD-ZSOXZCCMSA-N
MW324.29 g/mol
LogP5.31
Rot. Bonds5

About 1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine

1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine (PubChem CID 81398672) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
PubChem CID81398672
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1cccs1)c1cccc(Br)c1
InChIInChI=1S/C15H18BrNS/c1-3-14(12-6-4-7-13(16)10-12)17-11(2)15-8-5-9-18-15/h4-11,14,17H,3H2,1-2H3/t11-,14?/m0/s1
InChIKeyATAYQFCTHOVJHD-ZSOXZCCMSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-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

N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43673198
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 81382664
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 43206039
1-(4-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033
1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol
CID 54938378
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine (CID 81398672) is 1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine is CCC(N[C@@H](C)c1cccs1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is ATAYQFCTHOVJHD-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-3-14(12-6-4-7-13(16)10-12)17-11(2)15-8-5-9-18-15/h4-11,14,17H,3H2,1-2H3/t11-,14?/m0/s1.
What are the key properties of 1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine?
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 324.29 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 81398672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).