4-(2-aminoethyl)-2,6-ditert-butylphenol

C16H27NO — CID 10490866

IUPAC4-(2-aminoethyl)-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(CCN)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H27NO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h9-10,18H,7-8,17H2,1-6H3
InChIKeyRNVYCHNNRVFSDL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.49
Rot. Bonds2

About 4-(2-aminoethyl)-2,6-ditert-butylphenol

4-(2-aminoethyl)-2,6-ditert-butylphenol (PubChem CID 10490866) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,6-ditert-butylphenol
PubChem CID10490866
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(2-aminoethyl)-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(CCN)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H27NO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h9-10,18H,7-8,17H2,1-6H3
InChIKeyRNVYCHNNRVFSDL-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,6-ditert-butylphenol?
The IUPAC name of 4-(2-aminoethyl)-2,6-ditert-butylphenol (CID 10490866) is 4-(2-aminoethyl)-2,6-ditert-butylphenol.
What is the SMILES notation for 4-(2-aminoethyl)-2,6-ditert-butylphenol?
The canonical SMILES for 4-(2-aminoethyl)-2,6-ditert-butylphenol is CC(C)(C)c1cc(CCN)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-(2-aminoethyl)-2,6-ditert-butylphenol?
The InChIKey is RNVYCHNNRVFSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h9-10,18H,7-8,17H2,1-6H3.
What are the key properties of 4-(2-aminoethyl)-2,6-ditert-butylphenol?
4-(2-aminoethyl)-2,6-ditert-butylphenol has a molecular weight of 249.40 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,6-ditert-butylphenol is sourced from PubChem (CID 10490866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).