(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine

C15H11Br2NS — CID 81141985

IUPAC(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1csc2c(Br)cccc12
InChIInChI=1S/C15H11Br2NS/c16-10-6-4-9(5-7-10)14(18)12-8-19-15-11(12)2-1-3-13(15)17/h1-8,14H,18H2
InChIKeyTWFJMCYIVHMLPW-UHFFFAOYSA-N
MW397.14 g/mol
LogP5.47
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine

(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine (PubChem CID 81141985) has the molecular formula C15H11Br2NS and a molecular weight of 397.14 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine
PubChem CID81141985
Molecular FormulaC15H11Br2NS
Molecular Weight397.14 g/mol
Exact Mass394.90
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1csc2c(Br)cccc12
InChIInChI=1S/C15H11Br2NS/c16-10-6-4-9(5-7-10)14(18)12-8-19-15-11(12)2-1-3-13(15)17/h1-8,14H,18H2
InChIKeyTWFJMCYIVHMLPW-UHFFFAOYSA-N
XLogP5.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.14
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(3,5-dimethylphenyl)methanamine
CID 81142574
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanamine
CID 103220494
(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine
CID 81142277
(7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine
CID 81142948
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2,5-difluorophenyl)methanamine
CID 82773003
(7-bromo-1-benzothiophen-3-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82797767
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene
CID 114021677
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine
CID 81133000
1-(7-bromo-1-benzothiophen-3-yl)-2-methyl-2-phenylpropan-1-amine
CID 81132063
(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine
CID 81142140
7-bromo-3-[chloro-(3-fluoro-4-methylphenyl)methyl]-1-benzothiophene
CID 81154172

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine (CID 81141985) is (7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine is NC(c1ccc(Br)cc1)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine?
The InChIKey is TWFJMCYIVHMLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NS/c16-10-6-4-9(5-7-10)14(18)12-8-19-15-11(12)2-1-3-13(15)17/h1-8,14H,18H2.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine?
(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine has a molecular weight of 397.14 g/mol, XLogP of 5.47, 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)-(4-bromophenyl)methanamine is sourced from PubChem (CID 81141985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).