3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine

C11H12BrNS — CID 117119292

IUPAC3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine
SMILESNCCCc1csc2cccc(Br)c12
InChIInChI=1S/C11H12BrNS/c12-9-4-1-5-10-11(9)8(7-14-10)3-2-6-13/h1,4-5,7H,2-3,6,13H2
InChIKeyYFFWRJVGXYFVHO-UHFFFAOYSA-N
MW270.19 g/mol
LogP3.56
Rot. Bonds3

About 3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine

3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine (PubChem CID 117119292) has the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol. Its IUPAC name is 3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine
PubChem CID117119292
Molecular FormulaC11H12BrNS
Molecular Weight270.19 g/mol
Exact Mass268.99
IUPAC Name3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine
SMILESNCCCc1csc2cccc(Br)c12
InChIInChI=1S/C11H12BrNS/c12-9-4-1-5-10-11(9)8(7-14-10)3-2-6-13/h1,4-5,7H,2-3,6,13H2
InChIKeyYFFWRJVGXYFVHO-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine
CID 117119291
3-(4-bromo-1-benzothiophen-3-yl)-N-methylpropan-1-amine
CID 117194851
4-bromo-3-(fluoromethyl)-1-benzothiophene
CID 84704838
4-bromo-3-iodo-1-benzothiophene
CID 102452522
[4-(aminomethyl)-1-benzothiophen-3-yl]methanol
CID 117170804
2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 176716325
(4-fluoro-1-benzothiophen-3-yl)methanol
CID 117119260
3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine
CID 84811801
[3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine
CID 117170768
3-(2-bromo-4-methoxyphenyl)propan-1-amine
CID 82622371
[4-(3-aminopropyl)-3-bromophenyl]methanol
CID 84802538
3-(4-chlorobutyl)-1-benzothiophene
CID 64513988

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine?
The IUPAC name of 3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine (CID 117119292) is 3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine?
The canonical SMILES for 3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine is NCCCc1csc2cccc(Br)c12.
What is the InChIKey of 3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine?
The InChIKey is YFFWRJVGXYFVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c12-9-4-1-5-10-11(9)8(7-14-10)3-2-6-13/h1,4-5,7H,2-3,6,13H2.
What are the key properties of 3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine?
3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine has a molecular weight of 270.19 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 117119292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).