2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine

C23H23Cl2FN2O — CID 169233901

IUPAC2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine
SMILESCCOc1c(C)cc(C(CNC)c2cccc(F)c2)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C23H23Cl2FN2O/c1-4-29-23-14(2)11-20(18(13-27-3)15-7-5-8-16(26)12-15)28-22(23)17-9-6-10-19(24)21(17)25/h5-12,18,27H,4,13H2,1-3H3
InChIKeyQRTYCZCDHPCACE-UHFFFAOYSA-N
MW433.35 g/mol
LogP6.25
Rot. Bonds7

About 2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine

2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 169233901) has the molecular formula C23H23Cl2FN2O and a molecular weight of 433.35 g/mol. Its IUPAC name is 2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID169233901
Molecular FormulaC23H23Cl2FN2O
Molecular Weight433.35 g/mol
Exact Mass432.12
IUPAC Name2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine
SMILESCCOc1c(C)cc(C(CNC)c2cccc(F)c2)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C23H23Cl2FN2O/c1-4-29-23-14(2)11-20(18(13-27-3)15-7-5-8-16(26)12-15)28-22(23)17-9-6-10-19(24)21(17)25/h5-12,18,27H,4,13H2,1-3H3
InChIKeyQRTYCZCDHPCACE-UHFFFAOYSA-N
XLogP6.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.35
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine with MolForge

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Related Compounds

3-[[3-[(2,3-Dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
CID 155532704
(1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
CID 45377852
Methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboximidate
CID 57657724
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
CID 59231691
6-[4-[4-[4-[(E)-but-1-enyl]cyclohexen-1-yl]-2-chloro-3-fluorophenyl]phenyl]-3-butoxy-2-fluoropyridine
CID 59256970
N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-8-propoxyquinolin-4-amine
CID 59474776
(2R)-2-[[6-[3-[(3-chlorophenyl)methoxy]phenyl]-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312599
(2R)-2-[[6-[4-[(3-chlorophenyl)methoxy]phenyl]-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312774
N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-8-propoxyquinolin-4-amine;hydrochloride
CID 68498596
[6-(2-Chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine
CID 69149902
6-[4-[4-(4-But-1-enylcyclohexen-1-yl)-2-chloro-3-fluorophenyl]phenyl]-3-butoxy-2-fluoropyridine
CID 72263263
1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
CID 75112907

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine (CID 169233901) is 2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine is CCOc1c(C)cc(C(CNC)c2cccc(F)c2)nc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is QRTYCZCDHPCACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN2O/c1-4-29-23-14(2)11-20(18(13-27-3)15-7-5-8-16(26)12-15)28-22(23)17-9-6-10-19(24)21(17)25/h5-12,18,27H,4,13H2,1-3H3.
What are the key properties of 2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine?
2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 433.35 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dichlorophenyl)-5-ethoxy-4-methyl-2-pyridinyl]-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 169233901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).