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

C15H10Br2FNS — CID 81142948

IUPAC(7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1Br)c1csc2c(Br)cccc12
InChIInChI=1S/C15H10Br2FNS/c16-12-3-1-2-9-11(7-20-15(9)12)14(19)10-5-4-8(18)6-13(10)17/h1-7,14H,19H2
InChIKeyPIKHKCAYYPHBOR-UHFFFAOYSA-N
MW415.13 g/mol
LogP5.61
Rot. Bonds2

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

(7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine (PubChem CID 81142948) has the molecular formula C15H10Br2FNS and a molecular weight of 415.13 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine
PubChem CID81142948
Molecular FormulaC15H10Br2FNS
Molecular Weight415.13 g/mol
Exact Mass412.89
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1Br)c1csc2c(Br)cccc12
InChIInChI=1S/C15H10Br2FNS/c16-12-3-1-2-9-11(7-20-15(9)12)14(19)10-5-4-8(18)6-13(10)17/h1-7,14H,19H2
InChIKeyPIKHKCAYYPHBOR-UHFFFAOYSA-N
XLogP5.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.13
LogP ≤ 55.61
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-chlorophenyl)methanamine
CID 81142277
(7-bromo-1-benzothiophen-3-yl)-(3,5-dimethylphenyl)methanamine
CID 81142574
(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine
CID 81141985
(7-bromo-1-benzothiophen-3-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82797767
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine
CID 81133000
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanamine
CID 103220494
7-bromo-3-[chloro-(2,4,6-trifluorophenyl)methyl]-1-benzothiophene
CID 81129145
(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301576
7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
CID 81147103
(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 81128771
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine (CID 81142948) is (7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine is NC(c1ccc(F)cc1Br)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine?
The InChIKey is PIKHKCAYYPHBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2FNS/c16-12-3-1-2-9-11(7-20-15(9)12)14(19)10-5-4-8(18)6-13(10)17/h1-7,14H,19H2.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine?
(7-bromo-1-benzothiophen-3-yl)-(2-bromo-4-fluorophenyl)methanamine has a molecular weight of 415.13 g/mol, XLogP of 5.61, 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-bromo-4-fluorophenyl)methanamine is sourced from PubChem (CID 81142948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).