2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine

C15H14Cl4N2 — CID 79783709

IUPAC2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl4N2/c1-2-20-14(15-13(19)7-11(17)8-21-15)6-9-5-10(16)3-4-12(9)18/h3-5,7-8,14,20H,2,6H2,1H3
InChIKeyTZVTWYOAQKUAHW-UHFFFAOYSA-N
MW364.10 g/mol
LogP5.59
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine

2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine (PubChem CID 79783709) has the molecular formula C15H14Cl4N2 and a molecular weight of 364.10 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
PubChem CID79783709
Molecular FormulaC15H14Cl4N2
Molecular Weight364.10 g/mol
Exact Mass361.99
IUPAC Name2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl4N2/c1-2-20-14(15-13(19)7-11(17)8-21-15)6-9-5-10(16)3-4-12(9)18/h3-5,7-8,14,20H,2,6H2,1H3
InChIKeyTZVTWYOAQKUAHW-UHFFFAOYSA-N
XLogP5.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.10
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 79781134
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182758
2-(2,5-dichlorophenyl)-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105151514
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783679
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
2-(2,5-dichlorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 65321381
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 106692130
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 79780328
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine (CID 79783709) is 2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine is CCNC(Cc1cc(Cl)ccc1Cl)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
The InChIKey is TZVTWYOAQKUAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl4N2/c1-2-20-14(15-13(19)7-11(17)8-21-15)6-9-5-10(16)3-4-12(9)18/h3-5,7-8,14,20H,2,6H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine has a molecular weight of 364.10 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 79783709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).