1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine

C16H18Cl2N2 — CID 79780634

IUPAC1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2/c1-3-11-4-6-12(7-5-11)8-15(19-2)16-14(18)9-13(17)10-20-16/h4-7,9-10,15,19H,3,8H2,1-2H3
InChIKeyXUMZPRPQWHWANB-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.45
Rot. Bonds5

About 1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine

1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine (PubChem CID 79780634) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
PubChem CID79780634
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2/c1-3-11-4-6-12(7-5-11)8-15(19-2)16-14(18)9-13(17)10-20-16/h4-7,9-10,15,19H,3,8H2,1-2H3
InChIKeyXUMZPRPQWHWANB-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105248583
1-(3,5-dichloro-2-pyridinyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 79779897
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79780808
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 79781134
1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79783537
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131218477
N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79783884
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79780724
[2-(3,4-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine
CID 105248609
1-(3,5-dichloro-2-pyridinyl)-N,4-dimethylpent-4-en-1-amine
CID 114475430
[1-(3,5-dichloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105248726

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine (CID 79780634) is 1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine is CCc1ccc(CC(NC)c2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine?
The InChIKey is XUMZPRPQWHWANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-3-11-4-6-12(7-5-11)8-15(19-2)16-14(18)9-13(17)10-20-16/h4-7,9-10,15,19H,3,8H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine?
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine has a molecular weight of 309.24 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 79780634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).