N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine

C12H14BrNS — CID 117178182

IUPACN-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc2cc(Br)ccc12
InChIInChI=1S/C12H14BrNS/c1-8(2)14-6-9-7-15-12-5-10(13)3-4-11(9)12/h3-5,7-8,14H,6H2,1-2H3
InChIKeyKJLIHWCYFDCCRE-UHFFFAOYSA-N
MW284.22 g/mol
LogP4.16
Rot. Bonds3

About N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine

N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine (PubChem CID 117178182) has the molecular formula C12H14BrNS and a molecular weight of 284.22 g/mol. Its IUPAC name is N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine
PubChem CID117178182
Molecular FormulaC12H14BrNS
Molecular Weight284.22 g/mol
Exact Mass283.00
IUPAC NameN-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc2cc(Br)ccc12
InChIInChI=1S/C12H14BrNS/c1-8(2)14-6-9-7-15-12-5-10(13)3-4-11(9)12/h3-5,7-8,14H,6H2,1-2H3
InChIKeyKJLIHWCYFDCCRE-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178167
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene
CID 70540703
(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 78921839
N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 117179882
1-[(6-bromo-1-benzothiophen-3-yl)methyl]pyrrolidine
CID 117178039
3-(6-bromo-1-benzothiophen-3-yl)propanoic acid
CID 117121877
5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281562
2-[1-(6-bromo-1-benzothiophen-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol
CID 139692015
N-[[4-bromo-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 55240774
N-(1-benzothiophen-3-ylmethyl)-5-bromo-2-methylaniline
CID 63445567
N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 79742526

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine (CID 117178182) is N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine is CC(C)NCc1csc2cc(Br)ccc12.
What is the InChIKey of N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine?
The InChIKey is KJLIHWCYFDCCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS/c1-8(2)14-6-9-7-15-12-5-10(13)3-4-11(9)12/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine?
N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine has a molecular weight of 284.22 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 117178182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).