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

C16H18F2N2O — CID 81253176

IUPACN-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2O/c1-3-6-19-9-12-10-20-11(2)7-16(12)21-15-5-4-13(17)8-14(15)18/h4-5,7-8,10,19H,3,6,9H2,1-2H3
InChIKeyQUJXKCWATHIIBM-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.96
Rot. Bonds6

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

N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81253176) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID81253176
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2O/c1-3-6-19-9-12-10-20-11(2)7-16(12)21-15-5-4-13(17)8-14(15)18/h4-5,7-8,10,19H,3,6,9H2,1-2H3
InChIKeyQUJXKCWATHIIBM-UHFFFAOYSA-N
XLogP3.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81253500
[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81254597
N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253896
N-[[4-(2-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81254110
N-[[4-(4-chloro-3-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82718571
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297251
1-[4-(2-fluorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250425
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N-[[4-(2-methoxyethoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254724
N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82792176

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine (CID 81253176) is N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(C)cc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is QUJXKCWATHIIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-3-6-19-9-12-10-20-11(2)7-16(12)21-15-5-4-13(17)8-14(15)18/h4-5,7-8,10,19H,3,6,9H2,1-2H3.
What are the key properties of N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 292.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81253176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).