1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine

C17H20BrNO2 — CID 43479915

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1OC)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-19-15(11-13-6-4-5-7-16(13)20-2)12-8-9-17(21-3)14(18)10-12/h4-10,15,19H,11H2,1-3H3
InChIKeyNRPGDTYZJRQIGA-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.97
Rot. Bonds6

About 1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine

1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine (PubChem CID 43479915) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
PubChem CID43479915
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1OC)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-19-15(11-13-6-4-5-7-16(13)20-2)12-8-9-17(21-3)14(18)10-12/h4-10,15,19H,11H2,1-3H3
InChIKeyNRPGDTYZJRQIGA-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

1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032572
[1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283965
1-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 43479969
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 43479903
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389754
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 63021279
1-(4-fluoro-3,5-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 65298959
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115817291
1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114559924
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823
1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 55239918

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine (CID 43479915) is 1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccccc1OC)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The InChIKey is NRPGDTYZJRQIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-19-15(11-13-6-4-5-7-16(13)20-2)12-8-9-17(21-3)14(18)10-12/h4-10,15,19H,11H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
1-(3-bromo-4-methoxyphenyl)-2-(2-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 1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 43479915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).