2,6-ditert-butyl-4-(ethylaminomethyl)phenol

C17H29NO — CID 3968

IUPAC2,6-ditert-butyl-4-(ethylaminomethyl)phenol
SMILESCCNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-8-18-11-12-9-13(16(2,3)4)15(19)14(10-12)17(5,6)7/h9-10,18-19H,8,11H2,1-7H3
InChIKeyWQNYIWJBDGLKEB-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.10
Rot. Bonds3

About 2,6-ditert-butyl-4-(ethylaminomethyl)phenol

2,6-ditert-butyl-4-(ethylaminomethyl)phenol (PubChem CID 3968) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(ethylaminomethyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(ethylaminomethyl)phenol
PubChem CID3968
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2,6-ditert-butyl-4-(ethylaminomethyl)phenol
SMILESCCNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-8-18-11-12-9-13(16(2,3)4)15(19)14(10-12)17(5,6)7/h9-10,18-19H,8,11H2,1-7H3
InChIKeyWQNYIWJBDGLKEB-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(ethylaminomethyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(ethylaminomethyl)phenol (CID 3968) is 2,6-ditert-butyl-4-(ethylaminomethyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(ethylaminomethyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(ethylaminomethyl)phenol is CCNCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(ethylaminomethyl)phenol?
The InChIKey is WQNYIWJBDGLKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-8-18-11-12-9-13(16(2,3)4)15(19)14(10-12)17(5,6)7/h9-10,18-19H,8,11H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-(ethylaminomethyl)phenol?
2,6-ditert-butyl-4-(ethylaminomethyl)phenol has a molecular weight of 263.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(ethylaminomethyl)phenol is sourced from PubChem (CID 3968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).