N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine

C16H19FN2O — CID 81250354

IUPACN-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1Oc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O/c1-3-8-18-10-13-11-19-12(2)9-16(13)20-15-6-4-14(17)5-7-15/h4-7,9,11,18H,3,8,10H2,1-2H3
InChIKeyRIYRHDQMDOMMBA-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.82
Rot. Bonds6

About N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine

N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81250354) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID81250354
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1Oc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O/c1-3-8-18-10-13-11-19-12(2)9-16(13)20-15-6-4-14(17)5-7-15/h4-7,9,11,18H,3,8,10H2,1-2H3
InChIKeyRIYRHDQMDOMMBA-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253176
N-[[4-(4-chloro-3-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82718571
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81250922
N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 116793446
N-[[4-bromo-2-(4-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283161
N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253896
N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 83234578
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-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81251160
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-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine (CID 81250354) is N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(C)cc1Oc1ccc(F)cc1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is RIYRHDQMDOMMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-8-18-10-13-11-19-12(2)9-16(13)20-15-6-4-14(17)5-7-15/h4-7,9,11,18H,3,8,10H2,1-2H3.
What are the key properties of N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 274.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81250354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).