4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol

C19H33NO — CID 20536288

IUPAC4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol
SMILESCC(C)(CN)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H33NO/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,21H,11-12,20H2,1-8H3
InChIKeyINIHPIRRNFIOPQ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.51
Rot. Bonds3

About 4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol

4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol (PubChem CID 20536288) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol
PubChem CID20536288
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol
SMILESCC(C)(CN)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H33NO/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,21H,11-12,20H2,1-8H3
InChIKeyINIHPIRRNFIOPQ-UHFFFAOYSA-N
XLogP4.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol
CID 170887995
4-[2-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-2-methylpropyl]-2,6-ditert-butylphenol
CID 174550214
[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl] 2-chloroacetate
CID 88750003
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
2,6-ditert-butyl-4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-nitropropyl]phenol
CID 21434885
[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl] 2-ethylhexanoate
CID 88750299
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-ethylbutanethioic S-acid
CID 91194575
2,6-ditert-butyl-4-[3-[(3,5-dichloro-1,3,5-triazinan-1-yl)amino]-2,2-dimethylpropyl]phenol
CID 20536281
O-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] ethanethioate
CID 87143193
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
CID 158878074
3-chloroprop-1-ene;2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
CID 90659435

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol?
The IUPAC name of 4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol (CID 20536288) is 4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol.
What is the SMILES notation for 4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol?
The canonical SMILES for 4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol is CC(C)(CN)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol?
The InChIKey is INIHPIRRNFIOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,21H,11-12,20H2,1-8H3.
What are the key properties of 4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol?
4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol has a molecular weight of 291.48 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol is sourced from PubChem (CID 20536288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).