2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine

C11H12BrNS — CID 115004493

IUPAC2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine
SMILESCC(CN)c1cc2ccc(Br)cc2s1
InChIInChI=1S/C11H12BrNS/c1-7(6-13)10-4-8-2-3-9(12)5-11(8)14-10/h2-5,7H,6,13H2,1H3
InChIKeyZTDCXHNNDXNIRA-UHFFFAOYSA-N
MW270.20 g/mol
LogP3.73
Rot. Bonds2

About 2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine

2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine (PubChem CID 115004493) has the molecular formula C11H12BrNS and a molecular weight of 270.20 g/mol. Its IUPAC name is 2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine
PubChem CID115004493
Molecular FormulaC11H12BrNS
Molecular Weight270.20 g/mol
Exact Mass268.99
IUPAC Name2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine
SMILESCC(CN)c1cc2ccc(Br)cc2s1
InChIInChI=1S/C11H12BrNS/c1-7(6-13)10-4-8-2-3-9(12)5-11(8)14-10/h2-5,7H,6,13H2,1H3
InChIKeyZTDCXHNNDXNIRA-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(6-bromo-1-benzothiophen-2-yl)-2-hydroxyacetate
CID 115072243
N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 117179882
2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117122810
2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone
CID 82625549
2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117122437
5-bromo-2-(difluoromethyl)-1-benzothiophene
CID 84710979
2-(4-bromo-2-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 115844575
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
3-(6-bromo-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 81073032
1-(6-bromo-1-benzothiophen-2-yl)propan-2-one
CID 82625430
1-(6-chloro-1-benzothiophen-2-yl)ethanamine
CID 18965426
2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104395

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine?
The IUPAC name of 2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine (CID 115004493) is 2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine is CC(CN)c1cc2ccc(Br)cc2s1.
What is the InChIKey of 2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine?
The InChIKey is ZTDCXHNNDXNIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c1-7(6-13)10-4-8-2-3-9(12)5-11(8)14-10/h2-5,7H,6,13H2,1H3.
What are the key properties of 2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine?
2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine has a molecular weight of 270.20 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1-benzothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 115004493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).