2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol

C15H22N4O — CID 106506110

IUPAC2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol
SMILESCCn1ncnc1CC(CN)(CO)c1ccccc1C
InChIInChI=1S/C15H22N4O/c1-3-19-14(17-11-18-19)8-15(9-16,10-20)13-7-5-4-6-12(13)2/h4-7,11,20H,3,8-10,16H2,1-2H3
InChIKeyURFAEWIMYFITJU-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.04
Rot. Bonds6

About 2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol

2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol (PubChem CID 106506110) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol
PubChem CID106506110
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol
SMILESCCn1ncnc1CC(CN)(CO)c1ccccc1C
InChIInChI=1S/C15H22N4O/c1-3-19-14(17-11-18-19)8-15(9-16,10-20)13-7-5-4-6-12(13)2/h4-7,11,20H,3,8-10,16H2,1-2H3
InChIKeyURFAEWIMYFITJU-UHFFFAOYSA-N
XLogP1.04
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol
CID 66058099
2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol
CID 106506152
2-(2-methylphenyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79444656
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1-ethyl-1,2,4-triazole
CID 79447337
2-(4-methylphenyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79444434
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol
CID 79444206
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
2-ethyl-2-(2-methylphenyl)butan-1-amine
CID 60987168
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine
CID 102640345
2-(aminomethyl)-3-(3-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 106506068
1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol
CID 114872482
ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate
CID 106488249

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol (CID 106506110) is 2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol is CCn1ncnc1CC(CN)(CO)c1ccccc1C.
What is the InChIKey of 2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol?
The InChIKey is URFAEWIMYFITJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-19-14(17-11-18-19)8-15(9-16,10-20)13-7-5-4-6-12(13)2/h4-7,11,20H,3,8-10,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol?
2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 106506110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).