1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine

C17H20BrNO — CID 62389754

IUPAC1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-12-5-4-6-13(9-12)10-16(19-2)14-7-8-17(20-3)15(18)11-14/h4-9,11,16,19H,10H2,1-3H3
InChIKeyBIGJTQXDMYXSFR-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.27
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine

1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 62389754) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID62389754
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-12-5-4-6-13(9-12)10-16(19-2)14-7-8-17(20-3)15(18)11-14/h4-9,11,16,19H,10H2,1-3H3
InChIKeyBIGJTQXDMYXSFR-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[1-chloro-2-(3-methylphenyl)ethyl]-1-methoxybenzene
CID 55200198
1-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 43479969
2-(3,4-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 60864252
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 43479903
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 65434304
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43479915
1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
CID 63509459
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821781
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214776

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine (CID 62389754) is 1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine is CNC(Cc1cccc(C)c1)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is BIGJTQXDMYXSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-5-4-6-13(9-12)10-16(19-2)14-7-8-17(20-3)15(18)11-14/h4-9,11,16,19H,10H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 62389754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).