N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine

C15H14F2N2O3 — CID 133493347

IUPACN-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine
SMILESCc1cc(NCc2cc3c(cc2OC(F)F)OCO3)ccn1
InChIInChI=1S/C15H14F2N2O3/c1-9-4-11(2-3-18-9)19-7-10-5-13-14(21-8-20-13)6-12(10)22-15(16)17/h2-6,15H,7-8H2,1H3,(H,18,19)
InChIKeyKFAMLCYWUZCZHN-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.33
Rot. Bonds5

About N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine

N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine (PubChem CID 133493347) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine
PubChem CID133493347
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC NameN-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine
SMILESCc1cc(NCc2cc3c(cc2OC(F)F)OCO3)ccn1
InChIInChI=1S/C15H14F2N2O3/c1-9-4-11(2-3-18-9)19-7-10-5-13-14(21-8-20-13)6-12(10)22-15(16)17/h2-6,15H,7-8H2,1H3,(H,18,19)
InChIKeyKFAMLCYWUZCZHN-UHFFFAOYSA-N
XLogP3.33
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine
CID 133493352
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-1H-benzimidazol-2-amine
CID 133410891
3-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl-methylamino]propanoic acid
CID 119138110
2-methyl-N-propylpyridin-4-amine
CID 79240818
2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]phenyl]acetic acid
CID 113482465
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridin-4-amine
CID 106194181
3-amino-N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpropanamide
CID 119333708
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-methylaniline
CID 63478583
N-methyl-1-[6-(2-propan-2-yloxyethoxy)-1,3-benzodioxol-5-yl]methanamine
CID 55012013
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine
CID 146087537
3-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl-methylamino]propanenitrile
CID 71873667
2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80524115

Frequently Asked Questions

What is the IUPAC name of N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine?
The IUPAC name of N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine (CID 133493347) is N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine.
What is the SMILES notation for N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine?
The canonical SMILES for N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine is Cc1cc(NCc2cc3c(cc2OC(F)F)OCO3)ccn1.
What is the InChIKey of N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine?
The InChIKey is KFAMLCYWUZCZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c1-9-4-11(2-3-18-9)19-7-10-5-13-14(21-8-20-13)6-12(10)22-15(16)17/h2-6,15H,7-8H2,1H3,(H,18,19).
What are the key properties of N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine?
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine has a molecular weight of 308.28 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine is sourced from PubChem (CID 133493347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).