1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine

C17H18Cl3N — CID 115840151

IUPAC1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)c(C)c1
InChIInChI=1S/C17H18Cl3N/c1-3-21-17(13-5-7-15(19)11(2)8-13)9-12-4-6-14(18)10-16(12)20/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyPEFUTCRGBLNBKO-UHFFFAOYSA-N
MW342.70 g/mol
LogP5.85
Rot. Bonds5

About 1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine

1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine (PubChem CID 115840151) has the molecular formula C17H18Cl3N and a molecular weight of 342.70 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
PubChem CID115840151
Molecular FormulaC17H18Cl3N
Molecular Weight342.70 g/mol
Exact Mass341.05
IUPAC Name1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)c(C)c1
InChIInChI=1S/C17H18Cl3N/c1-3-21-17(13-5-7-15(19)11(2)8-13)9-12-4-6-14(18)10-16(12)20/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyPEFUTCRGBLNBKO-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.70
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956
1-(4-bromo-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840302
2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105055513
1-(4-bromo-2-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839880
2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 60818340
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
2-(2,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 63412888
1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103053128
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980
2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
CID 107308460
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867838

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine (CID 115840151) is 1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The InChIKey is PEFUTCRGBLNBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl3N/c1-3-21-17(13-5-7-15(19)11(2)8-13)9-12-4-6-14(18)10-16(12)20/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine?
1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine has a molecular weight of 342.70 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 115840151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).