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

C17H19Cl2N — CID 106856990

IUPAC1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1ccc(C)cc1Cl
InChIInChI=1S/C17H19Cl2N/c1-3-20-17(11-13-6-4-5-7-15(13)18)14-9-8-12(2)10-16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyQFXLINWUSYBCNA-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.20
Rot. Bonds5

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

1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine (PubChem CID 106856990) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
PubChem CID106856990
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1ccc(C)cc1Cl
InChIInChI=1S/C17H19Cl2N/c1-3-20-17(11-13-6-4-5-7-15(13)18)14-9-8-12(2)10-16(14)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyQFXLINWUSYBCNA-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
2-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857068
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 106866868
2-(2-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 61077645
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine
CID 106857406
1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106858425
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105037902
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine (CID 106856990) is 1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine is CCNC(Cc1ccccc1Cl)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine?
The InChIKey is QFXLINWUSYBCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-20-17(11-13-6-4-5-7-15(13)18)14-9-8-12(2)10-16(14)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine?
1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 106856990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).