4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol

C21H29NO — CID 90210185

IUPAC4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol
SMILESCC(C)(C)NC(c1ccc(O)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H29NO/c1-20(2,3)17-11-7-15(8-12-17)19(22-21(4,5)6)16-9-13-18(23)14-10-16/h7-14,19,22-23H,1-6H3
InChIKeyDYNPBMVDVVWBFC-UHFFFAOYSA-N
MW311.47 g/mol
LogP5.17
Rot. Bonds3

About 4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol

4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol (PubChem CID 90210185) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol
PubChem CID90210185
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol
SMILESCC(C)(C)NC(c1ccc(O)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H29NO/c1-20(2,3)17-11-7-15(8-12-17)19(22-21(4,5)6)16-9-13-18(23)14-10-16/h7-14,19,22-23H,1-6H3
InChIKeyDYNPBMVDVVWBFC-UHFFFAOYSA-N
XLogP5.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butylphenol;cobalt
CID 174380967
bis(4-tert-butylphenol);zirconium
CID 87864994
4-tert-butylphenol;titanium
CID 20801499
4-tert-butylphenol;nickel
CID 162056786
N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine
CID 90210200
2-(tert-butylamino)-1-(4-hydroxyphenyl)propane-1,3-diol
CID 139880051
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
(4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile
CID 90210236
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane
CID 158178381
4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
CID 143086936
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol?
The IUPAC name of 4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol (CID 90210185) is 4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol.
What is the SMILES notation for 4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol?
The canonical SMILES for 4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol is CC(C)(C)NC(c1ccc(O)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol?
The InChIKey is DYNPBMVDVVWBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-20(2,3)17-11-7-15(8-12-17)19(22-21(4,5)6)16-9-13-18(23)14-10-16/h7-14,19,22-23H,1-6H3.
What are the key properties of 4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol?
4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol has a molecular weight of 311.47 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol is sourced from PubChem (CID 90210185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).