2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine

C17H20BrNO2 — CID 65325112

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(OC)ccc1Br)c1cccc(OC)c1
InChIInChI=1S/C17H20BrNO2/c1-19-17(12-5-4-6-14(9-12)20-2)11-13-10-15(21-3)7-8-16(13)18/h4-10,17,19H,11H2,1-3H3
InChIKeyZWBHVYWWFMZWPR-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.97
Rot. Bonds6

About 2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine

2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 65325112) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
PubChem CID65325112
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(OC)ccc1Br)c1cccc(OC)c1
InChIInChI=1S/C17H20BrNO2/c1-19-17(12-5-4-6-14(9-12)20-2)11-13-10-15(21-3)7-8-16(13)18/h4-10,17,19H,11H2,1-3H3
InChIKeyZWBHVYWWFMZWPR-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 107985010
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546
[2-(2-bromo-5-methoxyphenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105309446
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115862414
2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62606417
2-(4-bromophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799436
2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363361
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine (CID 65325112) is 2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine is CNC(Cc1cc(OC)ccc1Br)c1cccc(OC)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is ZWBHVYWWFMZWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-19-17(12-5-4-6-14(9-12)20-2)11-13-10-15(21-3)7-8-16(13)18/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine?
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 350.26 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 65325112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).