2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine

C16H20BrNOS — CID 115862379

IUPAC2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(OC)ccc1Br)c1ccc(C)s1
InChIInChI=1S/C16H20BrNOS/c1-4-18-15(16-8-5-11(2)20-16)10-12-9-13(19-3)6-7-14(12)17/h5-9,15,18H,4,10H2,1-3H3
InChIKeyGKQVEKWJUMAWQR-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.72
Rot. Bonds6

About 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine

2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 115862379) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID115862379
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC Name2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(OC)ccc1Br)c1ccc(C)s1
InChIInChI=1S/C16H20BrNOS/c1-4-18-15(16-8-5-11(2)20-16)10-12-9-13(19-3)6-7-14(12)17/h5-9,15,18H,4,10H2,1-3H3
InChIKeyGKQVEKWJUMAWQR-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 65325618
N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 65325570
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65325071
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878468
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115848003
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107975481
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546
N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488164

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (CID 115862379) is 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is CCNC(Cc1cc(OC)ccc1Br)c1ccc(C)s1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is GKQVEKWJUMAWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-4-18-15(16-8-5-11(2)20-16)10-12-9-13(19-3)6-7-14(12)17/h5-9,15,18H,4,10H2,1-3H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 354.31 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115862379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).