1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine

C12H11Br2NS — CID 43482198

IUPAC1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H11Br2NS/c1-15-12(11-3-2-6-16-11)9-7-8(13)4-5-10(9)14/h2-7,12,15H,1H3
InChIKeyVUJWPRKUYFVDBU-UHFFFAOYSA-N
MW361.10 g/mol
LogP4.58
Rot. Bonds3

About 1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine

1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 43482198) has the molecular formula C12H11Br2NS and a molecular weight of 361.10 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID43482198
Molecular FormulaC12H11Br2NS
Molecular Weight361.10 g/mol
Exact Mass358.90
IUPAC Name1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H11Br2NS/c1-15-12(11-3-2-6-16-11)9-7-8(13)4-5-10(9)14/h2-7,12,15H,1H3
InChIKeyVUJWPRKUYFVDBU-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.10
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine 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

1-(2,5-dibromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43482299
1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861201
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 43482234
1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43482284
1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43482225
1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 107945175
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 81454247
1-(2-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483471
1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018419
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43626732
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43486329

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine (CID 43482198) is 1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine is CNC(c1cccs1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is VUJWPRKUYFVDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NS/c1-15-12(11-3-2-6-16-11)9-7-8(13)4-5-10(9)14/h2-7,12,15H,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine?
1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 361.10 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43482198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).