N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine

C15H16F2N2O — CID 103932280

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NC(C)c2ccccc2OC(F)F)c1
InChIInChI=1S/C15H16F2N2O/c1-10-7-12(9-18-8-10)19-11(2)13-5-3-4-6-14(13)20-15(16)17/h3-9,11,15,19H,1-2H3
InChIKeyZWRITDMCMXCGTO-UHFFFAOYSA-N
MW278.30 g/mol
LogP4.16
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine (PubChem CID 103932280) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine
PubChem CID103932280
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NC(C)c2ccccc2OC(F)F)c1
InChIInChI=1S/C15H16F2N2O/c1-10-7-12(9-18-8-10)19-11(2)13-5-3-4-6-14(13)20-15(16)17/h3-9,11,15,19H,1-2H3
InChIKeyZWRITDMCMXCGTO-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine (CID 103932280) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine is Cc1cncc(NC(C)c2ccccc2OC(F)F)c1.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine?
The InChIKey is ZWRITDMCMXCGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-10-7-12(9-18-8-10)19-11(2)13-5-3-4-6-14(13)20-15(16)17/h3-9,11,15,19H,1-2H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine has a molecular weight of 278.30 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 103932280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).