N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine

C14H18FN3O — CID 63070206

IUPACN-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(F)ccc1-n1ccc(C)n1
InChIInChI=1S/C14H18FN3O/c1-11-5-7-18(17-11)14-4-3-13(15)9-12(14)10-16-6-8-19-2/h3-5,7,9,16H,6,8,10H2,1-2H3
InChIKeySMTHAMPDKZNANV-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.06
Rot. Bonds6

About N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine

N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63070206) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine
PubChem CID63070206
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(F)ccc1-n1ccc(C)n1
InChIInChI=1S/C14H18FN3O/c1-11-5-7-18(17-11)14-4-3-13(15)9-12(14)10-16-6-8-19-2/h3-5,7,9,16H,6,8,10H2,1-2H3
InChIKeySMTHAMPDKZNANV-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 62489506
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63071718
N-[(5-fluoro-2-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 63070560
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 79771719
N-[[1-(2-bromo-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 107627583
N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63072423
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371
N-[[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 62487619
N-[[3-(3-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79492167
N-(2,2-dimethylpropyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63071895
N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107697021
N-[[5-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107696935

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine (CID 63070206) is N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine is COCCNCc1cc(F)ccc1-n1ccc(C)n1.
What is the InChIKey of N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is SMTHAMPDKZNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-11-5-7-18(17-11)14-4-3-13(15)9-12(14)10-16-6-8-19-2/h3-5,7,9,16H,6,8,10H2,1-2H3.
What are the key properties of N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine?
N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63070206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).