2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol

C14H23NO2 — CID 22327724

IUPAC2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol
SMILESCC(C)(C)c1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C14H23NO2/c1-14(2,3)12-4-6-13(7-5-12)15(8-10-16)9-11-17/h4-7,16-17H,8-11H2,1-3H3
InChIKeyIEXYKOLCMBHVMG-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.78
Rot. Bonds5

About 2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol

2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 22327724) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID22327724
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol
SMILESCC(C)(C)c1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C14H23NO2/c1-14(2,3)12-4-6-13(7-5-12)15(8-10-16)9-11-17/h4-7,16-17H,8-11H2,1-3H3
InChIKeyIEXYKOLCMBHVMG-UHFFFAOYSA-N
XLogP1.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Bis(2-hydroxyethyl)-p-toluidine
CID 76497
2-(N-ethyl-m-toluidino)ethanol
CID 7067
2,2'-((3-Methylphenyl)imino)bisethanol
CID 7073
N,N-Bis(2-hydroxyethyl)-2-naphthylamine
CID 160818
N,N-Bis(2-hydroxypropyl)-p-toluidine
CID 161976
2,2'-((2-Methylphenyl)imino)bisethanol
CID 96723
Hydroxyethyl methyltolylamine
CID 76094
2-(2-Ethylanilino)ethanol
CID 251080
4-(p-Tolyl)morpholine
CID 766255
4-(1,1-Dimethylethyl)-N,N-dimethylbenzenamine
CID 76199
Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-
CID 67077
1-Piperazineethanol, 4-o-tolyl-
CID 96700

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol (CID 22327724) is 2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol is CC(C)(C)c1ccc(N(CCO)CCO)cc1.
What is the InChIKey of 2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is IEXYKOLCMBHVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)12-4-6-13(7-5-12)15(8-10-16)9-11-17/h4-7,16-17H,8-11H2,1-3H3.
What are the key properties of 2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 237.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 22327724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).