2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol

C18H31NO2 — CID 6454805

IUPAC2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol
SMILESCC(C)(C)c1cc(N(CCO)CCO)cc(C(C)(C)C)c1
InChIInChI=1S/C18H31NO2/c1-17(2,3)14-11-15(18(4,5)6)13-16(12-14)19(7-9-20)8-10-21/h11-13,20-21H,7-10H2,1-6H3
InChIKeyHLDMOJRATBJDBV-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.07
Rot. Bonds5

About 2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol

2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 6454805) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID6454805
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol
SMILESCC(C)(C)c1cc(N(CCO)CCO)cc(C(C)(C)C)c1
InChIInChI=1S/C18H31NO2/c1-17(2,3)14-11-15(18(4,5)6)13-16(12-14)19(7-9-20)8-10-21/h11-13,20-21H,7-10H2,1-6H3
InChIKeyHLDMOJRATBJDBV-UHFFFAOYSA-N
XLogP3.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol (CID 6454805) is 2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol is CC(C)(C)c1cc(N(CCO)CCO)cc(C(C)(C)C)c1.
What is the InChIKey of 2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is HLDMOJRATBJDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-17(2,3)14-11-15(18(4,5)6)13-16(12-14)19(7-9-20)8-10-21/h11-13,20-21H,7-10H2,1-6H3.
What are the key properties of 2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol?
2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 293.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-ditert-butyl-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 6454805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).