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

C15H16F2N2O — CID 81250606

IUPACN-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1Oc1cccc(F)c1F
InChIInChI=1S/C15H16F2N2O/c1-2-7-18-9-11-10-19-8-6-13(11)20-14-5-3-4-12(16)15(14)17/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyGTZNIXDTUWSTOK-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.65
Rot. Bonds6

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

N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81250606) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID81250606
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1Oc1cccc(F)c1F
InChIInChI=1S/C15H16F2N2O/c1-2-7-18-9-11-10-19-8-6-13(11)20-14-5-3-4-12(16)15(14)17/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyGTZNIXDTUWSTOK-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-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 116690059
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81250426
N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382115
N-[[4-(3-bromo-5-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81326386
N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251065
N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253728
N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63070603
N-[[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 116689588
N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253689
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 81250184

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 81250606) is N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnccc1Oc1cccc(F)c1F.
What is the InChIKey of N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is GTZNIXDTUWSTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-2-7-18-9-11-10-19-8-6-13(11)20-14-5-3-4-12(16)15(14)17/h3-6,8,10,18H,2,7,9H2,1H3.
What are the key properties of N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(2,3-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-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81250606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).