1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine

C17H19Cl2N — CID 82883080

IUPAC1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C17H19Cl2N/c1-3-20-17(10-13-5-8-14(18)9-6-13)16-11-15(19)7-4-12(16)2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyVLEQZVMEHXRHJS-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.20
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine

1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine (PubChem CID 82883080) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
PubChem CID82883080
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C17H19Cl2N/c1-3-20-17(10-13-5-8-14(18)9-6-13)16-11-15(19)7-4-12(16)2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyVLEQZVMEHXRHJS-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-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990147
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773
N-[1-(5-chloro-2-methylphenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115863998
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
1-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262
2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 115787466
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63527400
1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
CID 115837624
1-(5-chloro-2-methylphenyl)-N-ethylbut-3-yn-1-amine
CID 114977880
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916
1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 82871396
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine (CID 82883080) is 1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)cc1)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine?
The InChIKey is VLEQZVMEHXRHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-20-17(10-13-5-8-14(18)9-6-13)16-11-15(19)7-4-12(16)2/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine?
1-(5-chloro-2-methylphenyl)-2-(4-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-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 82883080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).