1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine

C15H17BrFNS — CID 107354447

IUPAC1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
SMILESCc1cc(CNC(C)c2cc(Br)cs2)cc(C)c1F
InChIInChI=1S/C15H17BrFNS/c1-9-4-12(5-10(2)15(9)17)7-18-11(3)14-6-13(16)8-19-14/h4-6,8,11,18H,7H2,1-3H3
InChIKeyAHCAYJBEWWDIRC-UHFFFAOYSA-N
MW342.28 g/mol
LogP5.12
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine (PubChem CID 107354447) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
PubChem CID107354447
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
SMILESCc1cc(CNC(C)c2cc(Br)cs2)cc(C)c1F
InChIInChI=1S/C15H17BrFNS/c1-9-4-12(5-10(2)15(9)17)7-18-11(3)14-6-13(16)8-19-14/h4-6,8,11,18H,7H2,1-3H3
InChIKeyAHCAYJBEWWDIRC-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107167584
4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 107167179
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107167308
1-(4-bromothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 107167418
1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 107167168
1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
CID 107167271
4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide
CID 107167245
4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline
CID 107354261
N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-difluoro-3-methylaniline
CID 107354512
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107167364

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine (CID 107354447) is 1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine is Cc1cc(CNC(C)c2cc(Br)cs2)cc(C)c1F.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is AHCAYJBEWWDIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-9-4-12(5-10(2)15(9)17)7-18-11(3)14-6-13(16)8-19-14/h4-6,8,11,18H,7H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 342.28 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-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 107354447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).