2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine

C15H18BrNS — CID 79449305

IUPAC2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine
SMILESCNCC(CCc1ccsc1)c1ccccc1Br
InChIInChI=1S/C15H18BrNS/c1-17-10-13(7-6-12-8-9-18-11-12)14-4-2-3-5-15(14)16/h2-5,8-9,11,13,17H,6-7,10H2,1H3
InChIKeyOADMDDNEZOAHPK-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.45
Rot. Bonds6

About 2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine

2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine (PubChem CID 79449305) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine
PubChem CID79449305
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine
SMILESCNCC(CCc1ccsc1)c1ccccc1Br
InChIInChI=1S/C15H18BrNS/c1-17-10-13(7-6-12-8-9-18-11-12)14-4-2-3-5-15(14)16/h2-5,8-9,11,13,17H,6-7,10H2,1H3
InChIKeyOADMDDNEZOAHPK-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
CID 79448721
[1-(2-bromophenyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105208687
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
2-(2-bromophenyl)-N-methyl-4-propan-2-yloxybutan-1-amine
CID 79449527
1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857115
2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79449002
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566805
4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81024067
2-(2-bromophenyl)-4-(3-methoxypropoxy)-N-methylbutan-1-amine
CID 103183720
2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 107993221
1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62622929

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine (CID 79449305) is 2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine is CNCC(CCc1ccsc1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine?
The InChIKey is OADMDDNEZOAHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-17-10-13(7-6-12-8-9-18-11-12)14-4-2-3-5-15(14)16/h2-5,8-9,11,13,17H,6-7,10H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine?
2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine has a molecular weight of 324.29 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-4-thiophen-3-ylbutan-1-amine is sourced from PubChem (CID 79449305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).