N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine

C15H20FN3O — CID 107457959

IUPACN-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(F)c(COc2cnn(C)c2)c1
InChIInChI=1S/C15H20FN3O/c1-3-6-17-8-12-4-5-15(16)13(7-12)11-20-14-9-18-19(2)10-14/h4-5,7,9-10,17H,3,6,8,11H2,1-2H3
InChIKeyXPNJYSLLMVSERT-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.64
Rot. Bonds7

About N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine

N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine (PubChem CID 107457959) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine
PubChem CID107457959
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(F)c(COc2cnn(C)c2)c1
InChIInChI=1S/C15H20FN3O/c1-3-6-17-8-12-4-5-15(16)13(7-12)11-20-14-9-18-19(2)10-14/h4-5,7,9-10,17H,3,6,8,11H2,1-2H3
InChIKeyXPNJYSLLMVSERT-UHFFFAOYSA-N
XLogP2.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine
CID 107457958
N-[[3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 79883000
4-[(2,4-difluorophenyl)methoxy]-1-methylpyrazole
CID 116794247
N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 107457179
N-[[4-fluoro-3-(2-methylpropoxymethyl)phenyl]methyl]propan-1-amine
CID 107456933
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847795
N-[[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 103037800
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103046448
N-[[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115953397
N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457585
N-[[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457482

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine (CID 107457959) is N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(F)c(COc2cnn(C)c2)c1.
What is the InChIKey of N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine?
The InChIKey is XPNJYSLLMVSERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-6-17-8-12-4-5-15(16)13(7-12)11-20-14-9-18-19(2)10-14/h4-5,7,9-10,17H,3,6,8,11H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine?
N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine has a molecular weight of 277.34 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 107457959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).