2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol

C16H24N4O — CID 103399455

IUPAC2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol
SMILESCC(CO)(NCc1cn(C(C)(C)C)nn1)c1ccccc1
InChIInChI=1S/C16H24N4O/c1-15(2,3)20-11-14(18-19-20)10-17-16(4,12-21)13-8-6-5-7-9-13/h5-9,11,17,21H,10,12H2,1-4H3
InChIKeyVJHBQAFILVDKHB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.03
Rot. Bonds5

About 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol

2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol (PubChem CID 103399455) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol
PubChem CID103399455
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol
SMILESCC(CO)(NCc1cn(C(C)(C)C)nn1)c1ccccc1
InChIInChI=1S/C16H24N4O/c1-15(2,3)20-11-14(18-19-20)10-17-16(4,12-21)13-8-6-5-7-9-13/h5-9,11,17,21H,10,12H2,1-4H3
InChIKeyVJHBQAFILVDKHB-UHFFFAOYSA-N
XLogP2.03
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-Octyltriazol-1-yl)phenyl]ethanol
CID 72736019
2-[4-[[Cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol
CID 46863378
2-[4-[[Methyl(3-methylbutyl)amino]methyl]triazol-1-yl]-1-phenylethanol
CID 46863379
1-[4-[[Methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol
CID 46863381
1-[4-[[Methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol
CID 46863382
1-[4-[(4-Phenylpiperidin-1-yl)methyl]triazol-1-yl]hexan-2-ol
CID 46863384
2-[4-[[Methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 57391975
2-[4-[[Benzyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol
CID 57391979
(2S,3S,4R)-2-(1-benzyltriazol-4-yl)pyrrolidine-3,4-diol
CID 145963773
(2S,3S,4R)-2-[[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]methyl]pyrrolidine-3,4-diol
CID 145966052
(2R,3S,4R)-2-(1-benzyltriazol-4-yl)pyrrolidine-3,4-diol
CID 145975371
(2R,3R,4S)-2-(1-benzyltriazol-4-yl)pyrrolidine-3,4-diol
CID 145977258

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol (CID 103399455) is 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol is CC(CO)(NCc1cn(C(C)(C)C)nn1)c1ccccc1.
What is the InChIKey of 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol?
The InChIKey is VJHBQAFILVDKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-15(2,3)20-11-14(18-19-20)10-17-16(4,12-21)13-8-6-5-7-9-13/h5-9,11,17,21H,10,12H2,1-4H3.
What are the key properties of 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol?
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol is sourced from PubChem (CID 103399455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).