2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol

C14H20N4O — CID 66268295

IUPAC2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol
SMILESCc1ccc(C(C)NCc2cn(CCO)nn2)cc1
InChIInChI=1S/C14H20N4O/c1-11-3-5-13(6-4-11)12(2)15-9-14-10-18(7-8-19)17-16-14/h3-6,10,12,15,19H,7-9H2,1-2H3
InChIKeyIFGICFVOMCXHSN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.43
Rot. Bonds6

About 2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol

2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol (PubChem CID 66268295) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol
PubChem CID66268295
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol
SMILESCc1ccc(C(C)NCc2cn(CCO)nn2)cc1
InChIInChI=1S/C14H20N4O/c1-11-3-5-13(6-4-11)12(2)15-9-14-10-18(7-8-19)17-16-14/h3-6,10,12,15,19H,7-9H2,1-2H3
InChIKeyIFGICFVOMCXHSN-UHFFFAOYSA-N
XLogP1.43
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]ethanol
CID 81351583
2-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81371367
2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81363740
3-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81348534
3-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81367670
3-[4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81405616
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 103398918
2-[4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66270187
2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66270552
2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268833
3-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269133
2-[4-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]triazol-1-yl]ethanol
CID 66268505

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol (CID 66268295) is 2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol is Cc1ccc(C(C)NCc2cn(CCO)nn2)cc1.
What is the InChIKey of 2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol?
The InChIKey is IFGICFVOMCXHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-3-5-13(6-4-11)12(2)15-9-14-10-18(7-8-19)17-16-14/h3-6,10,12,15,19H,7-9H2,1-2H3.
What are the key properties of 2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol?
2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol has a molecular weight of 260.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66268295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).