2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol

C18H26N4O — CID 57391975

IUPAC2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
SMILESCN(CCc1ccccc1)Cc1cn(C2CCCCC2O)nn1
InChIInChI=1S/C18H26N4O/c1-21(12-11-15-7-3-2-4-8-15)13-16-14-22(20-19-16)17-9-5-6-10-18(17)23/h2-4,7-8,14,17-18,23H,5-6,9-13H2,1H3
InChIKeyNNLMWBITAXSASY-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.43
Rot. Bonds6

About 2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol

2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol (PubChem CID 57391975) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
PubChem CID57391975
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
SMILESCN(CCc1ccccc1)Cc1cn(C2CCCCC2O)nn1
InChIInChI=1S/C18H26N4O/c1-21(12-11-15-7-3-2-4-8-15)13-16-14-22(20-19-16)17-9-5-6-10-18(17)23/h2-4,7-8,14,17-18,23H,5-6,9-13H2,1H3
InChIKeyNNLMWBITAXSASY-UHFFFAOYSA-N
XLogP2.43
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol (CID 57391975) is 2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol is CN(CCc1ccccc1)Cc1cn(C2CCCCC2O)nn1.
What is the InChIKey of 2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol?
The InChIKey is NNLMWBITAXSASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21(12-11-15-7-3-2-4-8-15)13-16-14-22(20-19-16)17-9-5-6-10-18(17)23/h2-4,7-8,14,17-18,23H,5-6,9-13H2,1H3.
What are the key properties of 2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol?
2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol has a molecular weight of 314.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 57391975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).