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

C16H18Cl2N2 — CID 106755126

IUPAC2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)c1ccnc(C)c1
InChIInChI=1S/C16H18Cl2N2/c1-3-19-16(13-6-7-20-11(2)8-13)10-12-4-5-14(17)15(18)9-12/h4-9,16,19H,3,10H2,1-2H3
InChIKeyUWJORZBSBWQFJP-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.59
Rot. Bonds5

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

2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine (PubChem CID 106755126) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
PubChem CID106755126
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)c1ccnc(C)c1
InChIInChI=1S/C16H18Cl2N2/c1-3-19-16(13-6-7-20-11(2)8-13)10-12-4-5-14(17)15(18)9-12/h4-9,16,19H,3,10H2,1-2H3
InChIKeyUWJORZBSBWQFJP-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(4-ethylphenyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106754957
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
2-(3,4-dichlorophenyl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 63528155
N-[2-(4-ethylphenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754960
1-(2,6-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63527991
2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 105136476
2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105136543
2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732781
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755829
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
N-ethyl-2-(2-methoxyphenyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106754986

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine (CID 106755126) is 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine is CCNC(Cc1ccc(Cl)c(Cl)c1)c1ccnc(C)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine?
The InChIKey is UWJORZBSBWQFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-3-19-16(13-6-7-20-11(2)8-13)10-12-4-5-14(17)15(18)9-12/h4-9,16,19H,3,10H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine?
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine has a molecular weight of 309.24 g/mol, XLogP of 4.59, 5 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-(2-methyl-4-pyridinyl)ethanamine is sourced from PubChem (CID 106755126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).