1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine

C17H20BrNO — CID 61065958

IUPAC1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(OC)ccc1Br
InChIInChI=1S/C17H20BrNO/c1-12-4-6-13(7-5-12)10-17(19-2)15-11-14(20-3)8-9-16(15)18/h4-9,11,17,19H,10H2,1-3H3
InChIKeyRDYISGFKLZNODA-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.27
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 61065958) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID61065958
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(OC)ccc1Br
InChIInChI=1S/C17H20BrNO/c1-12-4-6-13(7-5-12)10-17(19-2)15-11-14(20-3)8-9-16(15)18/h4-9,11,17,19H,10H2,1-3H3
InChIKeyRDYISGFKLZNODA-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

Analyze 1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482745
1-(2,5-dibromophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482204
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 103394564
1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 81112448
2-(2-bromo-5-methoxyphenyl)-2-(methylamino)ethanol
CID 103845987
1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092588
1-(2-bromo-5-methoxyphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105376965
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115862414
1-(2-bromo-5-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 105077750
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105169297
1-(2-bromo-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 105151508
1-(2-bromo-5-methoxyphenyl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 105132934

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 61065958) is 1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is RDYISGFKLZNODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-4-6-13(7-5-12)10-17(19-2)15-11-14(20-3)8-9-16(15)18/h4-9,11,17,19H,10H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-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-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 61065958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).