4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine

C15H16F2N2O — CID 62786008

IUPAC4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(COc2cc(F)cc(F)c2)ccn1
InChIInChI=1S/C15H16F2N2O/c1-2-4-18-15-6-11(3-5-19-15)10-20-14-8-12(16)7-13(17)9-14/h3,5-9H,2,4,10H2,1H3,(H,18,19)
InChIKeyYVFGQXXXBQWSJA-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.76
Rot. Bonds6

About 4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine

4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine (PubChem CID 62786008) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
PubChem CID62786008
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(COc2cc(F)cc(F)c2)ccn1
InChIInChI=1S/C15H16F2N2O/c1-2-4-18-15-6-11(3-5-19-15)10-20-14-8-12(16)7-13(17)9-14/h3,5-9H,2,4,10H2,1H3,(H,18,19)
InChIKeyYVFGQXXXBQWSJA-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62465810
4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 83140667
N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
CID 62463881
5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059023
4-(2-methoxyethoxymethyl)-N-propylpyridin-2-amine
CID 62466363
4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62465294
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 62464531
4-(pentan-2-yloxymethyl)-N-propylpyridin-2-amine
CID 102985121
4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-N-propylpyridin-2-amine
CID 112589451
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 107725685
4-(furan-2-ylmethoxymethyl)-N-propylpyridin-2-amine
CID 62464220

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine (CID 62786008) is 4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine is CCCNc1cc(COc2cc(F)cc(F)c2)ccn1.
What is the InChIKey of 4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine?
The InChIKey is YVFGQXXXBQWSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-2-4-18-15-6-11(3-5-19-15)10-20-14-8-12(16)7-13(17)9-14/h3,5-9H,2,4,10H2,1H3,(H,18,19).
What are the key properties of 4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine?
4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine has a molecular weight of 278.30 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62786008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).