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

C15H18BrNO2S — CID 60882456

IUPAC1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
SMILESCCOc1cccc(CNC)c1OCc1ccc(Br)s1
InChIInChI=1S/C15H18BrNO2S/c1-3-18-13-6-4-5-11(9-17-2)15(13)19-10-12-7-8-14(16)20-12/h4-8,17H,3,9-10H2,1-2H3
InChIKeyHEDXNVXAWTVVNO-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.21
Rot. Bonds7

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

1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine (PubChem CID 60882456) 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]-3-ethoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
PubChem CID60882456
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC Name1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
SMILESCCOc1cccc(CNC)c1OCc1ccc(Br)s1
InChIInChI=1S/C15H18BrNO2S/c1-3-18-13-6-4-5-11(9-17-2)15(13)19-10-12-7-8-14(16)20-12/h4-8,17H,3,9-10H2,1-2H3
InChIKeyHEDXNVXAWTVVNO-UHFFFAOYSA-N
XLogP4.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
CID 60882838
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene
CID 43366790
1-[3-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390194
N-[[2-[(5-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]propan-1-amine
CID 115952833
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491680
1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
CID 60881702
N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide
CID 32776552
N-[[2-[(5-bromothiophen-2-yl)methoxy]-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 115954849
2-bromo-5-[[2-bromo-6-(bromomethyl)phenoxy]methyl]thiophene
CID 55224001
2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene
CID 63534198

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine (CID 60882456) is 1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine is CCOc1cccc(CNC)c1OCc1ccc(Br)s1.
What is the InChIKey of 1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine?
The InChIKey is HEDXNVXAWTVVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-3-18-13-6-4-5-11(9-17-2)15(13)19-10-12-7-8-14(16)20-12/h4-8,17H,3,9-10H2,1-2H3.
What are the key properties of 1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine?
1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine has a molecular weight of 356.29 g/mol, XLogP of 4.21, 7 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]-3-ethoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 60882456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).