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

C15H18BrNO2S — CID 43490698

IUPACN-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1ccc(OC)cc1OC
InChIInChI=1S/C15H18BrNO2S/c1-4-17-15(13-7-8-14(16)20-13)11-6-5-10(18-2)9-12(11)19-3/h5-9,15,17H,4H2,1-3H3
InChIKeyMWHVHCWKOJXPMF-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.23
Rot. Bonds6

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

N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine (PubChem CID 43490698) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
PubChem CID43490698
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC NameN-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1ccc(OC)cc1OC
InChIInChI=1S/C15H18BrNO2S/c1-4-17-15(13-7-8-14(16)20-13)11-6-5-10(18-2)9-12(11)19-3/h5-9,15,17H,4H2,1-3H3
InChIKeyMWHVHCWKOJXPMF-UHFFFAOYSA-N
XLogP4.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562077
N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488164
N-[(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 115368910
N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492175
N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490697
N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 43493518
N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093219
N-[(2,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 43490696
N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923601
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 103394718
N-[(2-bromo-4,5-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43491679
N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105145170

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine (CID 43490698) is N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Br)s1)c1ccc(OC)cc1OC.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is MWHVHCWKOJXPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-4-17-15(13-7-8-14(16)20-13)11-6-5-10(18-2)9-12(11)19-3/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine?
N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 356.29 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43490698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).