N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine

C12H12BrNS — CID 115751803

IUPACN-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine
SMILESCc1cscc1NCc1ccccc1Br
InChIInChI=1S/C12H12BrNS/c1-9-7-15-8-12(9)14-6-10-4-2-3-5-11(10)13/h2-5,7-8,14H,6H2,1H3
InChIKeyDRWPDQFIPHNJNT-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.43
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine

N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine (PubChem CID 115751803) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine
PubChem CID115751803
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC NameN-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine
SMILESCc1cscc1NCc1ccccc1Br
InChIInChI=1S/C12H12BrNS/c1-9-7-15-8-12(9)14-6-10-4-2-3-5-11(10)13/h2-5,7-8,14H,6H2,1H3
InChIKeyDRWPDQFIPHNJNT-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromophenyl)methyl]-4-methylthiophen-3-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-[(3-chloro-2-fluorophenyl)methyl]-4-methylthiophen-3-amine
CID 115751730
N-[(2-bromophenyl)methyl]-2,6-dimethylaniline
CID 55024912
2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol
CID 135038178
1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726538
4-bromo-N-[(2-bromophenyl)methyl]-3-methylaniline
CID 28537521
1-N-[(2-bromophenyl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590055
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268042
N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline
CID 65030272
N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62049687
3-bromo-4-[(4-methylthiophen-3-yl)methylamino]benzenecarbothioamide
CID 82804567
4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740131
N-[(2-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678230

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine (CID 115751803) is N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine is Cc1cscc1NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine?
The InChIKey is DRWPDQFIPHNJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c1-9-7-15-8-12(9)14-6-10-4-2-3-5-11(10)13/h2-5,7-8,14H,6H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine?
N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine has a molecular weight of 282.21 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine is sourced from PubChem (CID 115751803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).