2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine

C17H20Cl2N2 — CID 82732781

IUPAC2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)c1ncccc1CC
InChIInChI=1S/C17H20Cl2N2/c1-3-13-6-5-9-21-17(13)16(20-4-2)11-12-7-8-14(18)15(19)10-12/h5-10,16,20H,3-4,11H2,1-2H3
InChIKeyCDWFPXGVYXMGAO-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.84
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine

2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine (PubChem CID 82732781) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
PubChem CID82732781
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)c1ncccc1CC
InChIInChI=1S/C17H20Cl2N2/c1-3-13-6-5-9-21-17(13)16(20-4-2)11-12-7-8-14(18)15(19)10-12/h5-10,16,20H,3-4,11H2,1-2H3
InChIKeyCDWFPXGVYXMGAO-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 103040362
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 82730797
1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107885135
1-(2,6-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63527991
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 82730318
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732649
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755126
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 103444536
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82729902
N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105136518
[2-(2,3-dihydro-1H-inden-5-yl)-1-(3-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105263728

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine (CID 82732781) is 2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine is CCNC(Cc1ccc(Cl)c(Cl)c1)c1ncccc1CC.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine?
The InChIKey is CDWFPXGVYXMGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-3-13-6-5-9-21-17(13)16(20-4-2)11-12-7-8-14(18)15(19)10-12/h5-10,16,20H,3-4,11H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine?
2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine has a molecular weight of 323.27 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 82732781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).