1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine

C17H19BrClN — CID 106867838

IUPAC1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(C)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrClN/c1-3-20-17(13-6-8-15(18)9-7-13)11-14-5-4-12(2)10-16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyNGTBFOFNANMBDV-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.30
Rot. Bonds5

About 1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine

1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine (PubChem CID 106867838) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
PubChem CID106867838
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(C)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrClN/c1-3-20-17(13-6-8-15(18)9-7-13)11-14-5-4-12(2)10-16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyNGTBFOFNANMBDV-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine 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-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 106867810
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105037683
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503761
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105037902
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 106867253
2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974364
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840151

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine (CID 106867838) is 1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine is CCNC(Cc1ccc(C)cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine?
The InChIKey is NGTBFOFNANMBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-3-20-17(13-6-8-15(18)9-7-13)11-14-5-4-12(2)10-16(14)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine?
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine has a molecular weight of 352.70 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 106867838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).