2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol

C19H33NO — CID 170161611

IUPAC2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
SMILESCC(CN(C)C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H33NO/c1-13(12-20(8)9)14-10-15(18(2,3)4)17(21)16(11-14)19(5,6)7/h10-11,13,21H,12H2,1-9H3
InChIKeyOBXGXEYBXYFTEF-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.65
Rot. Bonds3

About 2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol

2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol (PubChem CID 170161611) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
PubChem CID170161611
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
SMILESCC(CN(C)C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H33NO/c1-13(12-20(8)9)14-10-15(18(2,3)4)17(21)16(11-14)19(5,6)7/h10-11,13,21H,12H2,1-9H3
InChIKeyOBXGXEYBXYFTEF-UHFFFAOYSA-N
XLogP4.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol
CID 144959528
2,6-ditert-butyl-4-dodecan-2-ylphenol
CID 88842140
2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol
CID 21482215
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol
CID 170163068
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-ditert-butylphenol
CID 171162043
4-(2-amino-1-hydroxypropyl)-2,6-ditert-butylphenol
CID 43209074
4-butan-2-yl-2-[[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]methyliminomethyl]-6-tert-butylphenol
CID 137091614
5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde
CID 22082143
4-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-2,6-ditert-butylphenol;hydrochloride
CID 171266472
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol (CID 170161611) is 2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol is CC(CN(C)C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol?
The InChIKey is OBXGXEYBXYFTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-13(12-20(8)9)14-10-15(18(2,3)4)17(21)16(11-14)19(5,6)7/h10-11,13,21H,12H2,1-9H3.
What are the key properties of 2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol?
2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol has a molecular weight of 291.48 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol is sourced from PubChem (CID 170161611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).