(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine

C15H11BrClNS — CID 81142277

IUPAC(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine
SMILESNC(c1ccccc1Cl)c1csc2c(Br)cccc12
InChIInChI=1S/C15H11BrClNS/c16-12-6-3-5-9-11(8-19-15(9)12)14(18)10-4-1-2-7-13(10)17/h1-8,14H,18H2
InChIKeyBRCNGNVUQFYRKS-UHFFFAOYSA-N
MW352.68 g/mol
LogP5.37
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine

(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine (PubChem CID 81142277) has the molecular formula C15H11BrClNS and a molecular weight of 352.68 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine
PubChem CID81142277
Molecular FormulaC15H11BrClNS
Molecular Weight352.68 g/mol
Exact Mass350.95
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine
SMILESNC(c1ccccc1Cl)c1csc2c(Br)cccc12
InChIInChI=1S/C15H11BrClNS/c16-12-6-3-5-9-11(8-19-15(9)12)14(18)10-4-1-2-7-13(10)17/h1-8,14H,18H2
InChIKeyBRCNGNVUQFYRKS-UHFFFAOYSA-N
XLogP5.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2,5-difluorophenyl)methanamine
CID 82773003
(7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine
CID 81142948
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanamine
CID 103220494
(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine
CID 81141985
(7-bromo-1-benzothiophen-3-yl)-(3,5-dimethylphenyl)methanamine
CID 81142574
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine
CID 81133000
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098916
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
1-(7-bromo-1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81264968
7-bromo-3-[bromo-(3-chlorothiophen-2-yl)methyl]-1-benzothiophene
CID 81148280
7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
CID 81147103
(7-bromo-1-benzothiophen-3-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82797767

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine (CID 81142277) is (7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine is NC(c1ccccc1Cl)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine?
The InChIKey is BRCNGNVUQFYRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNS/c16-12-6-3-5-9-11(8-19-15(9)12)14(18)10-4-1-2-7-13(10)17/h1-8,14H,18H2.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine?
(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine has a molecular weight of 352.68 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine is sourced from PubChem (CID 81142277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).