4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol

C20H35NO — CID 170887995

IUPAC4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol
SMILESCC(C)(CCN)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H35NO/c1-18(2,3)15-11-14(13-20(7,8)9-10-21)12-16(17(15)22)19(4,5)6/h11-12,22H,9-10,13,21H2,1-8H3
InChIKeyVRYDSBQDTAFHIT-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.90
Rot. Bonds4

About 4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol

4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol (PubChem CID 170887995) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol
PubChem CID170887995
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol
SMILESCC(C)(CCN)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H35NO/c1-18(2,3)15-11-14(13-20(7,8)9-10-21)12-16(17(15)22)19(4,5)6/h11-12,22H,9-10,13,21H2,1-8H3
InChIKeyVRYDSBQDTAFHIT-UHFFFAOYSA-N
XLogP4.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol
CID 20536288
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
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
N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide
CID 22104699
1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-one
CID 20708554
2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol
CID 3430761
4-[2-[3-(4-amino-2-methylbutan-2-yl)-5-tert-butyl-4-hydroxyphenyl]sulfanylpropan-2-ylsulfanyl]-2,6-ditert-butylphenol
CID 139369401
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
CID 158878074
2,6-ditert-butyl-4-[3-[(3,5-dichloro-1,3,5-triazinan-1-yl)amino]-2,2-dimethylpropyl]phenol
CID 20536281
3-tert-butyl-5-[2-(3-tert-butyl-4,5-dihydroxyphenyl)ethyl]benzene-1,2-diol
CID 102013342
methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-iodopropanoate
CID 118054778

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol?
The IUPAC name of 4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol (CID 170887995) is 4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol.
What is the SMILES notation for 4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol?
The canonical SMILES for 4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol is CC(C)(CCN)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol?
The InChIKey is VRYDSBQDTAFHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-18(2,3)15-11-14(13-20(7,8)9-10-21)12-16(17(15)22)19(4,5)6/h11-12,22H,9-10,13,21H2,1-8H3.
What are the key properties of 4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol?
4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol has a molecular weight of 305.51 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol is sourced from PubChem (CID 170887995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).