2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine

C15H14Cl2F2N2O — CID 118342898

IUPAC2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine
SMILESCOC(CNCc1cc(F)cc(F)c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C15H14Cl2F2N2O/c1-22-14(15-12(16)6-21-7-13(15)17)8-20-5-9-2-10(18)4-11(19)3-9/h2-4,6-7,14,20H,5,8H2,1H3
InChIKeyVVRLCDWZBGZLDL-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.14
Rot. Bonds6

About 2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine

2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine (PubChem CID 118342898) has the molecular formula C15H14Cl2F2N2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine
PubChem CID118342898
Molecular FormulaC15H14Cl2F2N2O
Molecular Weight347.19 g/mol
Exact Mass346.05
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine
SMILESCOC(CNCc1cc(F)cc(F)c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C15H14Cl2F2N2O/c1-22-14(15-12(16)6-21-7-13(15)17)8-20-5-9-2-10(18)4-11(19)3-9/h2-4,6-7,14,20H,5,8H2,1H3
InChIKeyVVRLCDWZBGZLDL-UHFFFAOYSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine (CID 118342898) is 2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine is COC(CNCc1cc(F)cc(F)c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine?
The InChIKey is VVRLCDWZBGZLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2F2N2O/c1-22-14(15-12(16)6-21-7-13(15)17)8-20-5-9-2-10(18)4-11(19)3-9/h2-4,6-7,14,20H,5,8H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine?
2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine has a molecular weight of 347.19 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-N-[(3,5-difluorophenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 118342898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).