2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol

C17H29NO2 — CID 60686630

IUPAC2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESCc1cc(C(C)(C)C)cc(C)c1CN(CCO)CCO
InChIInChI=1S/C17H29NO2/c1-13-10-15(17(3,4)5)11-14(2)16(13)12-18(6-8-19)7-9-20/h10-11,19-20H,6-9,12H2,1-5H3
InChIKeyAZWRFBKONVJIQW-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.39
Rot. Bonds6

About 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol

2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 60686630) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID60686630
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESCc1cc(C(C)(C)C)cc(C)c1CN(CCO)CCO
InChIInChI=1S/C17H29NO2/c1-13-10-15(17(3,4)5)11-14(2)16(13)12-18(6-8-19)7-9-20/h10-11,19-20H,6-9,12H2,1-5H3
InChIKeyAZWRFBKONVJIQW-UHFFFAOYSA-N
XLogP2.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol (CID 60686630) is 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol is Cc1cc(C(C)(C)C)cc(C)c1CN(CCO)CCO.
What is the InChIKey of 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is AZWRFBKONVJIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13-10-15(17(3,4)5)11-14(2)16(13)12-18(6-8-19)7-9-20/h10-11,19-20H,6-9,12H2,1-5H3.
What are the key properties of 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 279.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 60686630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).