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

C15H15Cl3N2 — CID 105132627

IUPAC1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1ccncc1Cl
InChIInChI=1S/C15H15Cl3N2/c1-2-20-15(12-5-6-19-9-14(12)18)7-10-3-4-11(16)8-13(10)17/h3-6,8-9,15,20H,2,7H2,1H3
InChIKeyRIXOVVDKVSDJLY-UHFFFAOYSA-N
MW329.66 g/mol
LogP4.94
Rot. Bonds5

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

1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine (PubChem CID 105132627) has the molecular formula C15H15Cl3N2 and a molecular weight of 329.66 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
PubChem CID105132627
Molecular FormulaC15H15Cl3N2
Molecular Weight329.66 g/mol
Exact Mass328.03
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1ccncc1Cl
InChIInChI=1S/C15H15Cl3N2/c1-2-20-15(12-5-6-19-9-14(12)18)7-10-3-4-11(16)8-13(10)17/h3-6,8-9,15,20H,2,7H2,1H3
InChIKeyRIXOVVDKVSDJLY-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.66
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105135
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106866140
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 103052808
2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine
CID 63988403
[2-(2,4-dichlorophenyl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105200174
N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105089739
1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840151

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine (CID 105132627) is 1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)cc1Cl)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The InChIKey is RIXOVVDKVSDJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2/c1-2-20-15(12-5-6-19-9-14(12)18)7-10-3-4-11(16)8-13(10)17/h3-6,8-9,15,20H,2,7H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine?
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine has a molecular weight of 329.66 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105132627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).