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

C14H18FN3O — CID 107457958

IUPACN-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COc2cnn(C)c2)c1
InChIInChI=1S/C14H18FN3O/c1-3-16-7-11-4-5-14(15)12(6-11)10-19-13-8-17-18(2)9-13/h4-6,8-9,16H,3,7,10H2,1-2H3
InChIKeyGMOROGWGXAJTTC-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.25
Rot. Bonds6

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

N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine (PubChem CID 107457958) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine
PubChem CID107457958
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COc2cnn(C)c2)c1
InChIInChI=1S/C14H18FN3O/c1-3-16-7-11-4-5-14(15)12(6-11)10-19-13-8-17-18(2)9-13/h4-6,8-9,16H,3,7,10H2,1-2H3
InChIKeyGMOROGWGXAJTTC-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine 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-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]propan-1-amine
CID 107457959
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457585
N-[[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457482
N-[[3-[(5-bromo-3-pyridinyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457738
N-[[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine
CID 107457779
4-[(2,4-difluorophenyl)methoxy]-1-methylpyrazole
CID 116794247
N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457828
N-[[3-bromo-4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 102774021
N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
N-[[3-bromo-4-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]cyclopropanamine
CID 102774105

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine (CID 107457958) is N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine is CCNCc1ccc(F)c(COc2cnn(C)c2)c1.
What is the InChIKey of N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine?
The InChIKey is GMOROGWGXAJTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-16-7-11-4-5-14(15)12(6-11)10-19-13-8-17-18(2)9-13/h4-6,8-9,16H,3,7,10H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine?
N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.25, 6 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]ethanamine is sourced from PubChem (CID 107457958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).