2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

C15H22N4 — CID 79748978

IUPAC2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1ccccc1CCNCc1ncnn1C(C)C
InChIInChI=1S/C15H22N4/c1-12(2)19-15(17-11-18-19)10-16-9-8-14-7-5-4-6-13(14)3/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyFWJGRTFJUYRWQG-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.50
Rot. Bonds6

About 2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine

2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 79748978) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID79748978
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1ccccc1CCNCc1ncnn1C(C)C
InChIInChI=1S/C15H22N4/c1-12(2)19-15(17-11-18-19)10-16-9-8-14-7-5-4-6-13(14)3/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyFWJGRTFJUYRWQG-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.50
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

5-methyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
CID 115325336
2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 79763577
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
2-(2-methylphenyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79444656
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749615
2-[3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 115957641
4-methyl-3-(phenylcarbamoylamino)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
CID 167824820
N-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 112652160
2-(1-methylpiperidin-4-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 114515375
2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 79032805
N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66403720
2-chloro-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
CID 146107348

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 79748978) is 2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is Cc1ccccc1CCNCc1ncnn1C(C)C.
What is the InChIKey of 2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is FWJGRTFJUYRWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)19-15(17-11-18-19)10-16-9-8-14-7-5-4-6-13(14)3/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of 2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine?
2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 79748978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).