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

C17H22BrNS — CID 63773559

IUPAC2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
SMILESCCNCC(CCc1cccs1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H22BrNS/c1-2-19-13-15(7-10-17-4-3-11-20-17)12-14-5-8-16(18)9-6-14/h3-6,8-9,11,15,19H,2,7,10,12-13H2,1H3
InChIKeyMZHOADGVKVYKQJ-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.91
Rot. Bonds8

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

2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 63773559) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
PubChem CID63773559
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC Name2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
SMILESCCNCC(CCc1cccs1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H22BrNS/c1-2-19-13-15(7-10-17-4-3-11-20-17)12-14-5-8-16(18)9-6-14/h3-6,8-9,11,15,19H,2,7,10,12-13H2,1H3
InChIKeyMZHOADGVKVYKQJ-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-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-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773561
2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775568
2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775752
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
CID 62718053
2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine
CID 114173520
2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62516264
2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63774829
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
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-[(2-chlorophenyl)methyl]-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63775947
2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 62515381

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine (CID 63773559) is 2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine is CCNCC(CCc1cccs1)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is MZHOADGVKVYKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-2-19-13-15(7-10-17-4-3-11-20-17)12-14-5-8-16(18)9-6-14/h3-6,8-9,11,15,19H,2,7,10,12-13H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine?
2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 352.34 g/mol, XLogP of 4.91, 8 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-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63773559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).