1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine

C15H18BrNO2S — CID 82000633

IUPAC1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)cc1OCc1ccc(Br)s1
InChIInChI=1S/C15H18BrNO2S/c1-10(17-2)13-6-4-11(18-3)8-14(13)19-9-12-5-7-15(16)20-12/h4-8,10,17H,9H2,1-3H3
InChIKeyDJQDGJVGJJLVPM-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.38
Rot. Bonds6

About 1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine

1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine (PubChem CID 82000633) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is 1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine
PubChem CID82000633
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC Name1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)cc1OCc1ccc(Br)s1
InChIInChI=1S/C15H18BrNO2S/c1-10(17-2)13-6-4-11(18-3)8-14(13)19-9-12-5-7-15(16)20-12/h4-8,10,17H,9H2,1-3H3
InChIKeyDJQDGJVGJJLVPM-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947360
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 112640461
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 104796450
1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine
CID 82000485
1-[4-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947555
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 82000350
2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
CID 43268075
1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine
CID 82927641
2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde
CID 43267878
N-[1-[2-[(5-bromothiophen-2-yl)methoxy]-4-fluorophenyl]ethyl]propan-1-amine
CID 63485328
2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol
CID 104581933

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine (CID 82000633) is 1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine is CNC(C)c1ccc(OC)cc1OCc1ccc(Br)s1.
What is the InChIKey of 1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine?
The InChIKey is DJQDGJVGJJLVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-10(17-2)13-6-4-11(18-3)8-14(13)19-9-12-5-7-15(16)20-12/h4-8,10,17H,9H2,1-3H3.
What are the key properties of 1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine?
1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine has a molecular weight of 356.29 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 82000633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).