(3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine

C11H8Br2ClNS — CID 107950502

IUPAC(3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
SMILESNC(c1cc(Cl)cc(Br)c1)c1ccc(Br)s1
InChIInChI=1S/C11H8Br2ClNS/c12-7-3-6(4-8(14)5-7)11(15)9-1-2-10(13)16-9/h1-5,11H,15H2
InChIKeyTZXCHFSXODAKTG-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.97
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine

(3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine (PubChem CID 107950502) has the molecular formula C11H8Br2ClNS and a molecular weight of 381.52 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
PubChem CID107950502
Molecular FormulaC11H8Br2ClNS
Molecular Weight381.52 g/mol
Exact Mass378.84
IUPAC Name(3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
SMILESNC(c1cc(Cl)cc(Br)c1)c1ccc(Br)s1
InChIInChI=1S/C11H8Br2ClNS/c12-7-3-6(4-8(14)5-7)11(15)9-1-2-10(13)16-9/h1-5,11H,15H2
InChIKeyTZXCHFSXODAKTG-UHFFFAOYSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine 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-bromo-4-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107987471
(5-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65104934
(5-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43464388
(5-bromothiophen-2-yl)-thiophen-3-ylmethanamine
CID 61102813
(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
CID 61102439
(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 104851096
(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104169
(5-bromothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
CID 106684358
(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104167
(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine
CID 114023515
(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
CID 107950848
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine?
The IUPAC name of (3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine (CID 107950502) is (3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine is NC(c1cc(Cl)cc(Br)c1)c1ccc(Br)s1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine?
The InChIKey is TZXCHFSXODAKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClNS/c12-7-3-6(4-8(14)5-7)11(15)9-1-2-10(13)16-9/h1-5,11H,15H2.
What are the key properties of (3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine?
(3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine has a molecular weight of 381.52 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 107950502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).