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

C15H15Cl2FN2O — CID 79783537

IUPAC1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2FN2O/c1-19-13(15-11(17)7-10(16)8-20-15)6-9-3-4-14(21-2)12(18)5-9/h3-5,7-8,13,19H,6H2,1-2H3
InChIKeyGQMZALUVUOFDFW-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.04
Rot. Bonds5

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

1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 79783537) has the molecular formula C15H15Cl2FN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID79783537
Molecular FormulaC15H15Cl2FN2O
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2FN2O/c1-19-13(15-11(17)7-10(16)8-20-15)6-9-3-4-14(21-2)12(18)5-9/h3-5,7-8,13,19H,6H2,1-2H3
InChIKeyGQMZALUVUOFDFW-UHFFFAOYSA-N
XLogP4.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79780808
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326
N-[(3,5-dichloro-2-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 79783700
2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 79780467
2-(3-fluoro-4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374164
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530632
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783679
[1-(3-chloro-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105218129
2-(3-fluoro-4-methoxyphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115829524

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 79783537) is 1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)c(F)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is GQMZALUVUOFDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2O/c1-19-13(15-11(17)7-10(16)8-20-15)6-9-3-4-14(21-2)12(18)5-9/h3-5,7-8,13,19H,6H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 329.20 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 79783537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).