1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine

C13H16BrNS2 — CID 107167584

IUPAC1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCc1cc(CNC(C)c2cc(Br)cs2)sc1C
InChIInChI=1S/C13H16BrNS2/c1-8-4-12(17-10(8)3)6-15-9(2)13-5-11(14)7-16-13/h4-5,7,9,15H,6H2,1-3H3
InChIKeyDNUPXFQFGXJKTE-UHFFFAOYSA-N
MW330.32 g/mol
LogP5.04
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine (PubChem CID 107167584) has the molecular formula C13H16BrNS2 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
PubChem CID107167584
Molecular FormulaC13H16BrNS2
Molecular Weight330.32 g/mol
Exact Mass328.99
IUPAC Name1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCc1cc(CNC(C)c2cc(Br)cs2)sc1C
InChIInChI=1S/C13H16BrNS2/c1-8-4-12(17-10(8)3)6-15-9(2)13-5-11(14)7-16-13/h4-5,7,9,15H,6H2,1-3H3
InChIKeyDNUPXFQFGXJKTE-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.32
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107354447
1-(4-bromothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 107167418
4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol
CID 65246414
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
CID 65246415
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102613006
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552
1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 107167355
4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol
CID 107715200

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine (CID 107167584) is 1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine is Cc1cc(CNC(C)c2cc(Br)cs2)sc1C.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is DNUPXFQFGXJKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNS2/c1-8-4-12(17-10(8)3)6-15-9(2)13-5-11(14)7-16-13/h4-5,7,9,15H,6H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 330.32 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 107167584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).