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

C15H16F2N2O2 — CID 133493352

IUPACN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine
SMILESCOc1ccc(OC(F)F)c(CNc2ccnc(C)c2)c1
InChIInChI=1S/C15H16F2N2O2/c1-10-7-12(5-6-18-10)19-9-11-8-13(20-2)3-4-14(11)21-15(16)17/h3-8,15H,9H2,1-2H3,(H,18,19)
InChIKeyNKHZLXWATOGTCB-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.61
Rot. Bonds6

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

N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine (PubChem CID 133493352) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine
PubChem CID133493352
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC NameN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine
SMILESCOc1ccc(OC(F)F)c(CNc2ccnc(C)c2)c1
InChIInChI=1S/C15H16F2N2O2/c1-10-7-12(5-6-18-10)19-9-11-8-13(20-2)3-4-14(11)21-15(16)17/h3-8,15H,9H2,1-2H3,(H,18,19)
InChIKeyNKHZLXWATOGTCB-UHFFFAOYSA-N
XLogP3.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine
CID 133493347
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63062845
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine
CID 133410892
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol
CID 43699564
N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 39424379
3-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 111121970
2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81308332
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-4-methoxyaniline
CID 43380507
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-methylaniline
CID 63478583
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1-(1,3-oxazol-5-yl)ethanamine
CID 138014546
3-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1,1,2-trimethylguanidine
CID 86781177

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine?
The IUPAC name of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine (CID 133493352) is N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine is COc1ccc(OC(F)F)c(CNc2ccnc(C)c2)c1.
What is the InChIKey of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine?
The InChIKey is NKHZLXWATOGTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-10-7-12(5-6-18-10)19-9-11-8-13(20-2)3-4-14(11)21-15(16)17/h3-8,15H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine?
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine has a molecular weight of 294.30 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine is sourced from PubChem (CID 133493352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).