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

C15H12BrNS — CID 81153674

IUPAC1-benzothiophen-7-yl-(4-bromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cccc2ccsc12
InChIInChI=1S/C15H12BrNS/c16-12-6-4-10(5-7-12)14(17)13-3-1-2-11-8-9-18-15(11)13/h1-9,14H,17H2
InChIKeyPGEGTTFCKBLZIC-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.71
Rot. Bonds2

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

1-benzothiophen-7-yl-(4-bromophenyl)methanamine (PubChem CID 81153674) has the molecular formula C15H12BrNS and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(4-bromophenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(4-bromophenyl)methanamine
PubChem CID81153674
Molecular FormulaC15H12BrNS
Molecular Weight318.24 g/mol
Exact Mass316.99
IUPAC Name1-benzothiophen-7-yl-(4-bromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cccc2ccsc12
InChIInChI=1S/C15H12BrNS/c16-12-6-4-10(5-7-12)14(17)13-3-1-2-11-8-9-18-15(11)13/h1-9,14H,17H2
InChIKeyPGEGTTFCKBLZIC-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(4-bromophenyl)methanamine?
The IUPAC name of 1-benzothiophen-7-yl-(4-bromophenyl)methanamine (CID 81153674) is 1-benzothiophen-7-yl-(4-bromophenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-7-yl-(4-bromophenyl)methanamine?
The canonical SMILES for 1-benzothiophen-7-yl-(4-bromophenyl)methanamine is NC(c1ccc(Br)cc1)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(4-bromophenyl)methanamine?
The InChIKey is PGEGTTFCKBLZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNS/c16-12-6-4-10(5-7-12)14(17)13-3-1-2-11-8-9-18-15(11)13/h1-9,14H,17H2.
What are the key properties of 1-benzothiophen-7-yl-(4-bromophenyl)methanamine?
1-benzothiophen-7-yl-(4-bromophenyl)methanamine has a molecular weight of 318.24 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(4-bromophenyl)methanamine is sourced from PubChem (CID 81153674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).