N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine

C16H20BrNOS — CID 107354281

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)c1cc(Br)cs1
InChIInChI=1S/C16H20BrNOS/c1-11(8-13-6-4-5-7-15(13)19-3)18-12(2)16-9-14(17)10-20-16/h4-7,9-12,18H,8H2,1-3H3
InChIKeyQYQJRQGFPORPLM-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.80
Rot. Bonds6

About N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine

N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine (PubChem CID 107354281) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
PubChem CID107354281
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)c1cc(Br)cs1
InChIInChI=1S/C16H20BrNOS/c1-11(8-13-6-4-5-7-15(13)19-3)18-12(2)16-9-14(17)10-20-16/h4-7,9-12,18H,8H2,1-3H3
InChIKeyQYQJRQGFPORPLM-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115710214
1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
CID 60936055
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 104652788
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 62601023
1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
CID 119165092
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine
CID 60936190
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
1-(3-bromo-4-methoxyphenyl)-N-[1-(4-bromothiophen-2-yl)ethyl]ethanamine
CID 107354175
5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43787862
3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 107167468

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine (CID 107354281) is N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(C)NC(C)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
The InChIKey is QYQJRQGFPORPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-11(8-13-6-4-5-7-15(13)19-3)18-12(2)16-9-14(17)10-20-16/h4-7,9-12,18H,8H2,1-3H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine?
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine has a molecular weight of 354.31 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 107354281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).