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

C14H19N3 — CID 104694342

IUPACN-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCc1cccc(CNCCc2ccnn2C)c1
InChIInChI=1S/C14H19N3/c1-12-4-3-5-13(10-12)11-15-8-6-14-7-9-16-17(14)2/h3-5,7,9-10,15H,6,8,11H2,1-2H3
InChIKeyVMLWVZQYFBUPDS-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.06
Rot. Bonds5

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

N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 104694342) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
PubChem CID104694342
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCc1cccc(CNCCc2ccnn2C)c1
InChIInChI=1S/C14H19N3/c1-12-4-3-5-13(10-12)11-15-8-6-14-7-9-16-17(14)2/h3-5,7,9-10,15H,6,8,11H2,1-2H3
InChIKeyVMLWVZQYFBUPDS-UHFFFAOYSA-N
XLogP2.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.06
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-[(3-bromophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694451
2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 104694287
N-[(2-chloro-4-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106863335
2-[3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 103005192
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694435
N-[(2-fluoro-5-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694469
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 113442257
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014370
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine (CID 104694342) is N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine is Cc1cccc(CNCCc2ccnn2C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is VMLWVZQYFBUPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12-4-3-5-13(10-12)11-15-8-6-14-7-9-16-17(14)2/h3-5,7,9-10,15H,6,8,11H2,1-2H3.
What are the key properties of N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104694342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).