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

C15H18BrNOS — CID 107167271

IUPAC1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1cccc(CNC(C)c2cc(Br)cs2)c1
InChIInChI=1S/C15H18BrNOS/c1-11(15-7-14(16)10-19-15)17-8-12-4-3-5-13(6-12)9-18-2/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyBYEAGWLAXLFDCQ-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.51
Rot. Bonds6

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

1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine (PubChem CID 107167271) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
PubChem CID107167271
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1cccc(CNC(C)c2cc(Br)cs2)c1
InChIInChI=1S/C15H18BrNOS/c1-11(15-7-14(16)10-19-15)17-8-12-4-3-5-13(6-12)9-18-2/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyBYEAGWLAXLFDCQ-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 107167168
4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 107167179
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107354447
1-(2,5-difluorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
CID 61004386
4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
1-[1-(4-bromothiophen-2-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 107167459
4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide
CID 107167245
4,4,4-trifluoro-N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 103777686
1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 107167096

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine (CID 107167271) is 1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine is COCc1cccc(CNC(C)c2cc(Br)cs2)c1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is BYEAGWLAXLFDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-11(15-7-14(16)10-19-15)17-8-12-4-3-5-13(6-12)9-18-2/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.51, 6 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-(methoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 107167271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).