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

C15H16F2N2O — CID 79251517

IUPAC2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H16F2N2O/c1-2-6-18-11-5-7-19-12(8-11)10-20-13-3-4-14(16)15(17)9-13/h3-5,7-9H,2,6,10H2,1H3,(H,18,19)
InChIKeyZIRVZGWAHVSETP-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.76
Rot. Bonds6

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

2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine (PubChem CID 79251517) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine
PubChem CID79251517
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H16F2N2O/c1-2-6-18-11-5-7-19-12(8-11)10-20-13-3-4-14(16)15(17)9-13/h3-5,7-9H,2,6,10H2,1H3,(H,18,19)
InChIKeyZIRVZGWAHVSETP-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

2-[(3-fluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251163
2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260330
2-(phenoxymethyl)-N-propylpyridin-4-amine
CID 79250988
2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260153
4-[[4-(propylamino)-2-pyridinyl]methoxy]benzamide
CID 79245655
N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine
CID 79261906
2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79250898
N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260149
5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775254
2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 79251583
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660604

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine (CID 79251517) is 2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(COc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine?
The InChIKey is ZIRVZGWAHVSETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-2-6-18-11-5-7-19-12(8-11)10-20-13-3-4-14(16)15(17)9-13/h3-5,7-9H,2,6,10H2,1H3,(H,18,19).
What are the key properties of 2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine?
2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-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 2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79251517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).