N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine

C16H19FN2O — CID 64853314

IUPACN-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2cc(C)ccc2F)nc1
InChIInChI=1S/C16H19FN2O/c1-3-8-18-10-13-5-7-16(19-11-13)20-15-9-12(2)4-6-14(15)17/h4-7,9,11,18H,3,8,10H2,1-2H3
InChIKeyYSFQRNRPBPNVLO-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.82
Rot. Bonds6

About N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 64853314) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID64853314
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2cc(C)ccc2F)nc1
InChIInChI=1S/C16H19FN2O/c1-3-8-18-10-13-5-7-16(19-11-13)20-15-9-12(2)4-6-14(15)17/h4-7,9,11,18H,3,8,10H2,1-2H3
InChIKeyYSFQRNRPBPNVLO-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'}

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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]-2-methylpropan-2-amine
CID 64853702
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297251
N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 64855274
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107285112
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928457
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781
N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62296337
1-[6-(2,4-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058595
N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296038

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 64853314) is N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(Oc2cc(C)ccc2F)nc1.
What is the InChIKey of N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is YSFQRNRPBPNVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-8-18-10-13-5-7-16(19-11-13)20-15-9-12(2)4-6-14(15)17/h4-7,9,11,18H,3,8,10H2,1-2H3.
What are the key properties of N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(2-fluoro-5-methylphenoxy)-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-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 64853314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).