2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine

C16H17BrClNO — CID 115786880

IUPAC2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc(Cl)cc1OC
InChIInChI=1S/C16H17BrClNO/c1-19-15(9-11-5-3-4-6-14(11)17)13-8-7-12(18)10-16(13)20-2/h3-8,10,15,19H,9H2,1-2H3
InChIKeyPYMCPDPQEMFKFX-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.61
Rot. Bonds5

About 2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine

2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine (PubChem CID 115786880) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
PubChem CID115786880
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc(Cl)cc1OC
InChIInChI=1S/C16H17BrClNO/c1-19-15(9-11-5-3-4-6-14(11)17)13-8-7-12(18)10-16(13)20-2/h3-8,10,15,19H,9H2,1-2H3
InChIKeyPYMCPDPQEMFKFX-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine 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

2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702
2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115787187
2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065184
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 61079470
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
1-(2-bromo-4-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 107992250
1-(4-bromo-2-chlorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786767
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 105398790
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63420196
1-(4-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115369429

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine (CID 115786880) is 2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccccc1Br)c1ccc(Cl)cc1OC.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine?
The InChIKey is PYMCPDPQEMFKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-19-15(9-11-5-3-4-6-14(11)17)13-8-7-12(18)10-16(13)20-2/h3-8,10,15,19H,9H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine?
2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115786880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).