1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine

C15H18BrNO2S — CID 81121867

IUPAC1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2cc(OC)cs2)c(Br)c1
InChIInChI=1S/C15H18BrNO2S/c1-4-19-10-5-6-12(13(16)7-10)15(17-2)14-8-11(18-3)9-20-14/h5-9,15,17H,4H2,1-3H3
InChIKeyUWWNLVJTLLZPDX-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.23
Rot. Bonds6

About 1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine

1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine (PubChem CID 81121867) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is 1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
PubChem CID81121867
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC Name1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2cc(OC)cs2)c(Br)c1
InChIInChI=1S/C15H18BrNO2S/c1-4-19-10-5-6-12(13(16)7-10)15(17-2)14-8-11(18-3)9-20-14/h5-9,15,17H,4H2,1-3H3
InChIKeyUWWNLVJTLLZPDX-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81121817
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105010987
1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 107987565
1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 62278586
1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81126484
1-(2-chloro-4,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 107476237
1-(2-bromo-4-ethoxyphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220460
N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81127102
1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122131
N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105026473
1-(2,4-dibromophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 107945123

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine (CID 81121867) is 1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine is CCOc1ccc(C(NC)c2cc(OC)cs2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The InChIKey is UWWNLVJTLLZPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-4-19-10-5-6-12(13(16)7-10)15(17-2)14-8-11(18-3)9-20-14/h5-9,15,17H,4H2,1-3H3.
What are the key properties of 1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine has a molecular weight of 356.29 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81121867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).