2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine

C15H18BrNS — CID 55106682

IUPAC2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1sccc1Br)c1ccccc1
InChIInChI=1S/C15H18BrNS/c1-2-15(11-17,12-6-4-3-5-7-12)10-14-13(16)8-9-18-14/h3-9H,2,10-11,17H2,1H3
InChIKeyUGTFXAVIIRRTCT-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.36
Rot. Bonds5

About 2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine

2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine (PubChem CID 55106682) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine
PubChem CID55106682
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1sccc1Br)c1ccccc1
InChIInChI=1S/C15H18BrNS/c1-2-15(11-17,12-6-4-3-5-7-12)10-14-13(16)8-9-18-14/h3-9H,2,10-11,17H2,1H3
InChIKeyUGTFXAVIIRRTCT-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine (CID 55106682) is 2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine is CCC(CN)(Cc1sccc1Br)c1ccccc1.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine?
The InChIKey is UGTFXAVIIRRTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-2-15(11-17,12-6-4-3-5-7-12)10-14-13(16)8-9-18-14/h3-9H,2,10-11,17H2,1H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine?
2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine has a molecular weight of 324.29 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-2-phenylbutan-1-amine is sourced from PubChem (CID 55106682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).