1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine

C14H15BrClNO2S — CID 104664426

IUPAC1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(OC)c1OCc1sccc1Br
InChIInChI=1S/C14H15BrClNO2S/c1-17-7-9-5-10(16)6-12(18-2)14(9)19-8-13-11(15)3-4-20-13/h3-6,17H,7-8H2,1-2H3
InChIKeyULAAOYIKAQJLLQ-UHFFFAOYSA-N
MW376.70 g/mol
LogP4.47
Rot. Bonds6

About 1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine

1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine (PubChem CID 104664426) has the molecular formula C14H15BrClNO2S and a molecular weight of 376.70 g/mol. Its IUPAC name is 1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine
PubChem CID104664426
Molecular FormulaC14H15BrClNO2S
Molecular Weight376.70 g/mol
Exact Mass374.97
IUPAC Name1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(OC)c1OCc1sccc1Br
InChIInChI=1S/C14H15BrClNO2S/c1-17-7-9-5-10(16)6-12(18-2)14(9)19-8-13-11(15)3-4-20-13/h3-6,17H,7-8H2,1-2H3
InChIKeyULAAOYIKAQJLLQ-UHFFFAOYSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.70
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine
CID 104664127
1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664444
methyl 3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]propanoate
CID 104664543
N-[(3-bromothiophen-2-yl)methyl]-1-(5-chloro-2-methoxyphenyl)methanamine
CID 78943520
1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664560
N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104664687
1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 104664508
1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664487
2-[(3-bromothiophen-2-yl)methoxy]-4-chlorobenzonitrile
CID 114322746
1-[5-chloro-3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106450713
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N,N-dimethylbutanamide
CID 104664419
3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene
CID 104707478

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine (CID 104664426) is 1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine is CNCc1cc(Cl)cc(OC)c1OCc1sccc1Br.
What is the InChIKey of 1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine?
The InChIKey is ULAAOYIKAQJLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2S/c1-17-7-9-5-10(16)6-12(18-2)14(9)19-8-13-11(15)3-4-20-13/h3-6,17H,7-8H2,1-2H3.
What are the key properties of 1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine?
1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine has a molecular weight of 376.70 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 104664426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).