5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine

C15H16F2N2O2 — CID 133424069

IUPAC5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2ccc(OC(F)F)cn2)cc1
InChIInChI=1S/C15H16F2N2O2/c1-19(10-11-3-5-12(20-2)6-4-11)14-8-7-13(9-18-14)21-15(16)17/h3-9,15H,10H2,1-2H3
InChIKeyIBHXMROFKLMMHP-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.33
Rot. Bonds6

About 5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine

5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 133424069) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
PubChem CID133424069
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2ccc(OC(F)F)cn2)cc1
InChIInChI=1S/C15H16F2N2O2/c1-19(10-11-3-5-12(20-2)6-4-11)14-8-7-13(9-18-14)21-15(16)17/h3-9,15H,10H2,1-2H3
InChIKeyIBHXMROFKLMMHP-UHFFFAOYSA-N
XLogP3.33
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine (CID 133424069) is 5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine is COc1ccc(CN(C)c2ccc(OC(F)F)cn2)cc1.
What is the InChIKey of 5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is IBHXMROFKLMMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-19(10-11-3-5-12(20-2)6-4-11)14-8-7-13(9-18-14)21-15(16)17/h3-9,15H,10H2,1-2H3.
What are the key properties of 5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 294.30 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 133424069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).