1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine

C16H14BrNS — CID 81153697

IUPAC1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine
SMILESNC(Cc1ccccc1Br)c1cccc2ccsc12
InChIInChI=1S/C16H14BrNS/c17-14-7-2-1-4-12(14)10-15(18)13-6-3-5-11-8-9-19-16(11)13/h1-9,15H,10,18H2
InChIKeyVNHFDWPLAGSLHX-UHFFFAOYSA-N
MW332.27 g/mol
LogP4.91
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine

1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine (PubChem CID 81153697) has the molecular formula C16H14BrNS and a molecular weight of 332.27 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine
PubChem CID81153697
Molecular FormulaC16H14BrNS
Molecular Weight332.27 g/mol
Exact Mass331.00
IUPAC Name1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine
SMILESNC(Cc1ccccc1Br)c1cccc2ccsc12
InChIInChI=1S/C16H14BrNS/c17-14-7-2-1-4-12(14)10-15(18)13-6-3-5-11-8-9-19-16(11)13/h1-9,15H,10,18H2
InChIKeyVNHFDWPLAGSLHX-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032936
1-(1-benzothiophen-7-yl)-2-(3-bromophenyl)sulfanylethanamine
CID 81154026
1-benzothiophen-7-yl-(4-bromophenyl)methanamine
CID 81153674
[1-(1-benzothiophen-7-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105206873
1-benzothiophen-7-yl-(2-bromo-5-methylphenyl)methanamine
CID 105022123
[1-benzothiophen-7-yl-(3-bromo-2-chlorophenyl)methyl]hydrazine
CID 105327736
2-(2-bromophenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105087456
1-benzothiophen-7-yl-(3-bromophenyl)methanamine
CID 81152966
1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
CID 81154241
7-(bromomethyl)-1-benzothiophene
CID 10751761
1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine
CID 105022064
1-benzothiophen-7-yl(naphthalen-2-yl)methanamine
CID 81129802

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine (CID 81153697) is 1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine is NC(Cc1ccccc1Br)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine?
The InChIKey is VNHFDWPLAGSLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNS/c17-14-7-2-1-4-12(14)10-15(18)13-6-3-5-11-8-9-19-16(11)13/h1-9,15H,10,18H2.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine?
1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine has a molecular weight of 332.27 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine is sourced from PubChem (CID 81153697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).