2,6-ditert-butylphenol;N-ethylethanamine

C18H33NO — CID 71675640

IUPAC2,6-ditert-butylphenol;N-ethylethanamine
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1O.CCNCC
InChIInChI=1S/C14H22O.C4H11N/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-3-5-4-2/h7-9,15H,1-6H3;5H,3-4H2,1-2H3
InChIKeyOLRFOFUSKNWXIX-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.60
Rot. Bonds2

About 2,6-ditert-butylphenol;N-ethylethanamine

2,6-ditert-butylphenol;N-ethylethanamine (PubChem CID 71675640) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2,6-ditert-butylphenol;N-ethylethanamine.

Molecular Properties

Compound Name2,6-ditert-butylphenol;N-ethylethanamine
PubChem CID71675640
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2,6-ditert-butylphenol;N-ethylethanamine
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1O.CCNCC
InChIInChI=1S/C14H22O.C4H11N/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-3-5-4-2/h7-9,15H,1-6H3;5H,3-4H2,1-2H3
InChIKeyOLRFOFUSKNWXIX-UHFFFAOYSA-N
XLogP4.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
2,6-ditert-butylphenol;methyl propanoate
CID 174866169
2-tert-butyl-6-methylphenol
CID 16678
CID 11225844
CID 11225844
2-tert-butyl-6-[(2-hydroxyethylamino)methyl]phenol
CID 21199225
2-tert-butyl-6-methylphenol;methane
CID 159779150
alumanyloxy(methyl)alumane;2,6-ditert-butylphenol
CID 173269586
bis(2,6-ditert-butylphenol);methanidylbenzene;zirconium(2+)
CID 134902480
2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
2,6-ditert-butylphenol;2-methylpropanedioic acid
CID 158945163
2-tert-butyl-6-pentadecylphenol
CID 151192860
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol
CID 23082358

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butylphenol;N-ethylethanamine?
The IUPAC name of 2,6-ditert-butylphenol;N-ethylethanamine (CID 71675640) is 2,6-ditert-butylphenol;N-ethylethanamine.
What is the SMILES notation for 2,6-ditert-butylphenol;N-ethylethanamine?
The canonical SMILES for 2,6-ditert-butylphenol;N-ethylethanamine is CC(C)(C)c1cccc(C(C)(C)C)c1O.CCNCC.
What is the InChIKey of 2,6-ditert-butylphenol;N-ethylethanamine?
The InChIKey is OLRFOFUSKNWXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C4H11N/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-3-5-4-2/h7-9,15H,1-6H3;5H,3-4H2,1-2H3.
What are the key properties of 2,6-ditert-butylphenol;N-ethylethanamine?
2,6-ditert-butylphenol;N-ethylethanamine has a molecular weight of 279.47 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butylphenol;N-ethylethanamine is sourced from PubChem (CID 71675640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).