1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine

C14H16BrNOS — CID 107167168

IUPAC1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNC(C)c2cc(Br)cs2)c1
InChIInChI=1S/C14H16BrNOS/c1-10(14-7-12(15)9-18-14)16-8-11-4-3-5-13(6-11)17-2/h3-7,9-10,16H,8H2,1-2H3
InChIKeyOKQRVTBASOWNEJ-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.37
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 107167168) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID107167168
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNC(C)c2cc(Br)cs2)c1
InChIInChI=1S/C14H16BrNOS/c1-10(14-7-12(15)9-18-14)16-8-11-4-3-5-13(6-11)17-2/h3-7,9-10,16H,8H2,1-2H3
InChIKeyOKQRVTBASOWNEJ-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
CID 107167271
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
(1R)-N-[1-(4-bromothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 107354466
1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 61336092
1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 107167096
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096278
1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 43230853
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 107167179
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine (CID 107167168) is 1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine is COc1cccc(CNC(C)c2cc(Br)cs2)c1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is OKQRVTBASOWNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-10(14-7-12(15)9-18-14)16-8-11-4-3-5-13(6-11)17-2/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 326.26 g/mol, XLogP of 4.37, 5 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-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107167168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).