2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

C14H19N3O — CID 19619324

IUPAC2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCOc1ccccc1CCNCc1ccnn1C
InChIInChI=1S/C14H19N3O/c1-17-13(8-10-16-17)11-15-9-7-12-5-3-4-6-14(12)18-2/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeyXIDMLOWTOYVQSS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.76
Rot. Bonds6

About 2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 19619324) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID19619324
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCOc1ccccc1CCNCc1ccnn1C
InChIInChI=1S/C14H19N3O/c1-17-13(8-10-16-17)11-15-9-7-12-5-3-4-6-14(12)18-2/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeyXIDMLOWTOYVQSS-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.76
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

1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625007
2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 25248276
2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106259901
methyl 2-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetate
CID 103005690
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 82682280
2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206586
5-[3-(bromomethyl)-4-(2-methoxyphenyl)butyl]-1-methylpyrazole
CID 103018527
5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104694486
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663267
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103004860

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 19619324) is 2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is COc1ccccc1CCNCc1ccnn1C.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is XIDMLOWTOYVQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-13(8-10-16-17)11-15-9-7-12-5-3-4-6-14(12)18-2/h3-6,8,10,15H,7,9,11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 19619324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).