4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol

C17H20N4O — CID 152674943

IUPAC4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol
SMILESCC(C)(C)c1cc(CN)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C17H20N4O/c1-17(2,3)12-8-11(10-18)9-15(16(12)22)21-19-13-6-4-5-7-14(13)20-21/h4-9,22H,10,18H2,1-3H3
InChIKeyZMIFMGWXQVPVDX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.88
Rot. Bonds2

About 4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol

4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol (PubChem CID 152674943) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol.

Molecular Properties

Compound Name4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol
PubChem CID152674943
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol
SMILESCC(C)(C)c1cc(CN)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C17H20N4O/c1-17(2,3)12-8-11(10-18)9-15(16(12)22)21-19-13-6-4-5-7-14(13)20-21/h4-9,22H,10,18H2,1-3H3
InChIKeyZMIFMGWXQVPVDX-UHFFFAOYSA-N
XLogP2.88
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605
3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-N-methylpropanamide
CID 20670561
5-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-1,1,1,2-tetrahydroxypentan-3-one
CID 146305658
2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol
CID 59815222
4-(benzotriazol-2-yl)-2,6-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,3-diol
CID 88765694
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
CID 87404296
1-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-5,6-dimethylheptan-3-one
CID 142257072
ethyl N-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoylamino]carbamate
CID 19746744
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158345963
3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]-N-(3-hydroxypropyl)propanamide
CID 19871392
4-[[3-(benzotriazol-2-yl)-2-hydroxy-5-phenylphenyl]methyl]-2,6-ditert-butylphenol
CID 88764504
4-(aminomethyl)-2-(benzotriazol-2-yl)-6-prop-2-enylphenol
CID 174911432

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol?
The IUPAC name of 4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol (CID 152674943) is 4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol.
What is the SMILES notation for 4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol?
The canonical SMILES for 4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol is CC(C)(C)c1cc(CN)cc(-n2nc3ccccc3n2)c1O.
What is the InChIKey of 4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol?
The InChIKey is ZMIFMGWXQVPVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-17(2,3)12-8-11(10-18)9-15(16(12)22)21-19-13-6-4-5-7-14(13)20-21/h4-9,22H,10,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol?
4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol has a molecular weight of 296.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol is sourced from PubChem (CID 152674943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).