2-(2-amino-4,6-ditert-butylphenyl)ethanol

C16H27NO — CID 146198086

IUPAC2-(2-amino-4,6-ditert-butylphenyl)ethanol
SMILESCC(C)(C)c1cc(N)c(CCO)c(C(C)(C)C)c1
InChIInChI=1S/C16H27NO/c1-15(2,3)11-9-13(16(4,5)6)12(7-8-18)14(17)10-11/h9-10,18H,7-8,17H2,1-6H3
InChIKeyRGZLAMBQKCBCHY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.40
Rot. Bonds2

About 2-(2-amino-4,6-ditert-butylphenyl)ethanol

2-(2-amino-4,6-ditert-butylphenyl)ethanol (PubChem CID 146198086) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(2-amino-4,6-ditert-butylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4,6-ditert-butylphenyl)ethanol
PubChem CID146198086
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(2-amino-4,6-ditert-butylphenyl)ethanol
SMILESCC(C)(C)c1cc(N)c(CCO)c(C(C)(C)C)c1
InChIInChI=1S/C16H27NO/c1-15(2,3)11-9-13(16(4,5)6)12(7-8-18)14(17)10-11/h9-10,18H,7-8,17H2,1-6H3
InChIKeyRGZLAMBQKCBCHY-UHFFFAOYSA-N
XLogP3.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-ditert-butylphenyl)ethanol?
The IUPAC name of 2-(2-amino-4,6-ditert-butylphenyl)ethanol (CID 146198086) is 2-(2-amino-4,6-ditert-butylphenyl)ethanol.
What is the SMILES notation for 2-(2-amino-4,6-ditert-butylphenyl)ethanol?
The canonical SMILES for 2-(2-amino-4,6-ditert-butylphenyl)ethanol is CC(C)(C)c1cc(N)c(CCO)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-amino-4,6-ditert-butylphenyl)ethanol?
The InChIKey is RGZLAMBQKCBCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)11-9-13(16(4,5)6)12(7-8-18)14(17)10-11/h9-10,18H,7-8,17H2,1-6H3.
What are the key properties of 2-(2-amino-4,6-ditert-butylphenyl)ethanol?
2-(2-amino-4,6-ditert-butylphenyl)ethanol has a molecular weight of 249.40 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-ditert-butylphenyl)ethanol is sourced from PubChem (CID 146198086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).