1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine

C13H13Br2NS — CID 60760516

IUPAC1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
SMILESCC(NCc1csc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C13H13Br2NS/c1-9(11-2-4-12(14)5-3-11)16-7-10-6-13(15)17-8-10/h2-6,8-9,16H,7H2,1H3
InChIKeyVCEWZJKVIAJDMJ-UHFFFAOYSA-N
MW375.13 g/mol
LogP5.12
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine

1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine (PubChem CID 60760516) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
PubChem CID60760516
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
SMILESCC(NCc1csc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C13H13Br2NS/c1-9(11-2-4-12(14)5-3-11)16-7-10-6-13(15)17-8-10/h2-6,8-9,16H,7H2,1H3
InChIKeyVCEWZJKVIAJDMJ-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.13
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
N-[(5-bromothiophen-3-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 47030408
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163
1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 60658197
N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 43431978
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115709428
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81353571
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 78921804

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine (CID 60760516) is 1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine is CC(NCc1csc(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine?
The InChIKey is VCEWZJKVIAJDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS/c1-9(11-2-4-12(14)5-3-11)16-7-10-6-13(15)17-8-10/h2-6,8-9,16H,7H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine?
1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine has a molecular weight of 375.13 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 60760516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).