2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol

C17H29NO2 — CID 175430474

IUPAC2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol
SMILESCc1c(NCCO)cc(C(C)(C)C)c(O)c1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-11-13(18-8-9-19)10-12(16(2,3)4)15(20)14(11)17(5,6)7/h10,18-20H,8-9H2,1-7H3
InChIKeyFBUFBCWGOKNETJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.70
Rot. Bonds3

About 2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol

2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol (PubChem CID 175430474) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol
PubChem CID175430474
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol
SMILESCc1c(NCCO)cc(C(C)(C)C)c(O)c1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-11-13(18-8-9-19)10-12(16(2,3)4)15(20)14(11)17(5,6)7/h10,18-20H,8-9H2,1-7H3
InChIKeyFBUFBCWGOKNETJ-UHFFFAOYSA-N
XLogP3.70
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol
CID 86228847
2,6-ditert-butyl-3-methyl-4-sulfanylphenol
CID 91874561
2,6-ditert-butyl-4-(3-hydroxypropoxymethyl)-3-methylphenol
CID 21199265
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
2,6-ditert-butyl-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-methylphenol
CID 135985047
2-(5-tert-butyl-2-methylanilino)ethanol
CID 82492429
4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol
CID 11236289
bis(2,6-ditert-butylbenzene-1,4-diol);ethane-1,2-diol
CID 172795780
3-tert-butyl-2,5-dimethylbenzene-1,4-diol
CID 58864787
2-(2-hydroxyethylamino)-6-methylphenol
CID 68893139
2,6-ditert-butyl-4-(2-hydroxyphenoxy)-3-methylphenol
CID 57222947
(3,5-ditert-butyl-4-hydroxy-2-methylphenyl) 2-methylpropanoate
CID 123527017

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol?
The IUPAC name of 2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol (CID 175430474) is 2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol?
The canonical SMILES for 2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol is Cc1c(NCCO)cc(C(C)(C)C)c(O)c1C(C)(C)C.
What is the InChIKey of 2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol?
The InChIKey is FBUFBCWGOKNETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-11-13(18-8-9-19)10-12(16(2,3)4)15(20)14(11)17(5,6)7/h10,18-20H,8-9H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol?
2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol has a molecular weight of 279.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(2-hydroxyethylamino)-3-methylphenol is sourced from PubChem (CID 175430474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).