2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol

C19H28N4O — CID 46863378

IUPAC2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol
SMILESCN(Cc1cn(CC(O)c2ccccc2)nn1)CC1CCCCC1
InChIInChI=1S/C19H28N4O/c1-22(12-16-8-4-2-5-9-16)13-18-14-23(21-20-18)15-19(24)17-10-6-3-7-11-17/h3,6-7,10-11,14,16,19,24H,2,4-5,8-9,12-13,15H2,1H3
InChIKeyOQAJEYWSOIHJID-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.02
Rot. Bonds7

About 2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol

2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol (PubChem CID 46863378) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol
PubChem CID46863378
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol
SMILESCN(Cc1cn(CC(O)c2ccccc2)nn1)CC1CCCCC1
InChIInChI=1S/C19H28N4O/c1-22(12-16-8-4-2-5-9-16)13-18-14-23(21-20-18)15-19(24)17-10-6-3-7-11-17/h3,6-7,10-11,14,16,19,24H,2,4-5,8-9,12-13,15H2,1H3
InChIKeyOQAJEYWSOIHJID-UHFFFAOYSA-N
XLogP3.02
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol (CID 46863378) is 2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol is CN(Cc1cn(CC(O)c2ccccc2)nn1)CC1CCCCC1.
What is the InChIKey of 2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol?
The InChIKey is OQAJEYWSOIHJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-22(12-16-8-4-2-5-9-16)13-18-14-23(21-20-18)15-19(24)17-10-6-3-7-11-17/h3,6-7,10-11,14,16,19,24H,2,4-5,8-9,12-13,15H2,1H3.
What are the key properties of 2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol?
2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol has a molecular weight of 328.46 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 46863378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).