(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine

C16H13BrClNOS — CID 81133000

IUPAC(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)ccc1C(N)c1csc2c(Br)cccc12
InChIInChI=1S/C16H13BrClNOS/c1-20-14-7-9(18)5-6-11(14)15(19)12-8-21-16-10(12)3-2-4-13(16)17/h2-8,15H,19H2,1H3
InChIKeyQGBNZEJCGBBLPM-UHFFFAOYSA-N
MW382.71 g/mol
LogP5.37
Rot. Bonds3

About (7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine

(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine (PubChem CID 81133000) has the molecular formula C16H13BrClNOS and a molecular weight of 382.71 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine
PubChem CID81133000
Molecular FormulaC16H13BrClNOS
Molecular Weight382.71 g/mol
Exact Mass380.96
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)ccc1C(N)c1csc2c(Br)cccc12
InChIInChI=1S/C16H13BrClNOS/c1-20-14-7-9(18)5-6-11(14)15(19)12-8-21-16-10(12)3-2-4-13(16)17/h2-8,15H,19H2,1H3
InChIKeyQGBNZEJCGBBLPM-UHFFFAOYSA-N
XLogP5.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.71
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)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

(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine
CID 81142277
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2,5-difluorophenyl)methanamine
CID 82773003
(7-bromo-1-benzothiophen-3-yl)-(3,5-dimethylphenyl)methanamine
CID 81142574
(7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine
CID 81142948
7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene
CID 81147356
1-(7-bromo-1-benzothiophen-3-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81131706
(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol
CID 81153527
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80532989
(7-bromo-1-benzothiophen-3-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82797767
7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene
CID 81152927
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069
(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine
CID 81141985

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine (CID 81133000) is (7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine is COc1cc(Cl)ccc1C(N)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine?
The InChIKey is QGBNZEJCGBBLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNOS/c1-20-14-7-9(18)5-6-11(14)15(19)12-8-21-16-10(12)3-2-4-13(16)17/h2-8,15H,19H2,1H3.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine?
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine has a molecular weight of 382.71 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 81133000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).