N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine

C15H16F2N2O — CID 62297251

IUPACN-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(F)cc2F)nc1
InChIInChI=1S/C15H16F2N2O/c1-2-7-18-9-11-3-6-15(19-10-11)20-14-5-4-12(16)8-13(14)17/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyXUHCKIJKAVGDLN-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.65
Rot. Bonds6

About N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62297251) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62297251
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(F)cc2F)nc1
InChIInChI=1S/C15H16F2N2O/c1-2-7-18-9-11-3-6-15(19-10-11)20-14-5-4-12(16)8-13(14)17/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyXUHCKIJKAVGDLN-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(2,5-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63273316
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 64853314
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107285112
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253176
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
CID 43283304
N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
CID 62298131
N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381761
N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928120
N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322221
N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639944

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 62297251) is N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(Oc2ccc(F)cc2F)nc1.
What is the InChIKey of N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is XUHCKIJKAVGDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-2-7-18-9-11-3-6-15(19-10-11)20-14-5-4-12(16)8-13(14)17/h3-6,8,10,18H,2,7,9H2,1H3.
What are the key properties of N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 278.30 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62297251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).