2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine

C16H20BrNS — CID 62516264

IUPAC2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNCC(Cc1ccc(Br)cc1)Cc1ccsc1
InChIInChI=1S/C16H20BrNS/c1-2-18-11-15(10-14-7-8-19-12-14)9-13-3-5-16(17)6-4-13/h3-8,12,15,18H,2,9-11H2,1H3
InChIKeySGYWUYWNVPQJHC-UHFFFAOYSA-N
MW338.31 g/mol
LogP4.52
Rot. Bonds7

About 2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine

2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 62516264) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine
PubChem CID62516264
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC Name2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine
SMILESCCNCC(Cc1ccc(Br)cc1)Cc1ccsc1
InChIInChI=1S/C16H20BrNS/c1-2-18-11-15(10-14-7-8-19-12-14)9-13-3-5-16(17)6-4-13/h3-8,12,15,18H,2,9-11H2,1H3
InChIKeySGYWUYWNVPQJHC-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-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

2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
CID 62516103
2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine
CID 114173520
2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine
CID 63522612
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773559
2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63522949
3-(2-ethylbutyl)thiophene
CID 89133993
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853
3-[3-[(4-bromophenyl)methyl]-4-chlorobutyl]thiophene
CID 66035727
2-[(4-bromophenyl)methyl]-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052967
2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 63522590

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine (CID 62516264) is 2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine is CCNCC(Cc1ccc(Br)cc1)Cc1ccsc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is SGYWUYWNVPQJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS/c1-2-18-11-15(10-14-7-8-19-12-14)9-13-3-5-16(17)6-4-13/h3-8,12,15,18H,2,9-11H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine?
2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 338.31 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 62516264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).