N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine

C17H21FN2O — CID 107169889

IUPACN-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccc(C)c(F)c2)c(C)c1
InChIInChI=1S/C17H21FN2O/c1-4-7-19-10-14-8-13(3)17(20-11-14)21-15-6-5-12(2)16(18)9-15/h5-6,8-9,11,19H,4,7,10H2,1-3H3
InChIKeyFSSCGPMEXBGVDU-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.13
Rot. Bonds6

About N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine

N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 107169889) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID107169889
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccc(C)c(F)c2)c(C)c1
InChIInChI=1S/C17H21FN2O/c1-4-7-19-10-14-8-13(3)17(20-11-14)21-15-6-5-12(2)16(18)9-15/h5-6,8-9,11,19H,4,7,10H2,1-3H3
InChIKeyFSSCGPMEXBGVDU-UHFFFAOYSA-N
XLogP4.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.13
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-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62295927
1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 107171083
N-[[5-methyl-6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 80637131
1-[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635573
N-[[6-(4-chloro-3-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82718259
N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107170628
1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80639067
[5-chloro-6-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methanol
CID 107170106
N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 83232522
N-[[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107169870
[6-(4-bromo-3-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628936
5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine (CID 107169889) is N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(Oc2ccc(C)c(F)c2)c(C)c1.
What is the InChIKey of N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is FSSCGPMEXBGVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-4-7-19-10-14-8-13(3)17(20-11-14)21-15-6-5-12(2)16(18)9-15/h5-6,8-9,11,19H,4,7,10H2,1-3H3.
What are the key properties of N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 288.37 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 107169889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).