2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol

C23H33NO2 — CID 57201454

IUPAC2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol
SMILESCCC(C)(C)NCCC(C)(c1cc(C)ccc1O)c1cc(C)ccc1O
InChIInChI=1S/C23H33NO2/c1-7-22(4,5)24-13-12-23(6,18-14-16(2)8-10-20(18)25)19-15-17(3)9-11-21(19)26/h8-11,14-15,24-26H,7,12-13H2,1-6H3
InChIKeyMNVYPKDIEBYVKN-UHFFFAOYSA-N
MW355.52 g/mol
LogP5.19
Rot. Bonds7

About 2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol

2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol (PubChem CID 57201454) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol
PubChem CID57201454
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol
SMILESCCC(C)(C)NCCC(C)(c1cc(C)ccc1O)c1cc(C)ccc1O
InChIInChI=1S/C23H33NO2/c1-7-22(4,5)24-13-12-23(6,18-14-16(2)8-10-20(18)25)19-15-17(3)9-11-21(19)26/h8-11,14-15,24-26H,7,12-13H2,1-6H3
InChIKeyMNVYPKDIEBYVKN-UHFFFAOYSA-N
XLogP5.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 521263
(2R)-2-(2,5-dimethylphenyl)butan-2-ol
CID 94334052
bis(2-tert-butyl-4-methylphenol);dichlorozirconium
CID 21185304
N-[2-(2-bromo-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
CID 55092828
ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate
CID 13307804
2-(2,5-dimethylphenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 80605045
2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol
CID 82040151
4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol
CID 66001267
1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol
CID 62773602
[4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid
CID 88685317
tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite
CID 66925984
CID 172763014
CID 172763014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol?
The IUPAC name of 2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol (CID 57201454) is 2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol.
What is the SMILES notation for 2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol?
The canonical SMILES for 2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol is CCC(C)(C)NCCC(C)(c1cc(C)ccc1O)c1cc(C)ccc1O.
What is the InChIKey of 2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol?
The InChIKey is MNVYPKDIEBYVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-7-22(4,5)24-13-12-23(6,18-14-16(2)8-10-20(18)25)19-15-17(3)9-11-21(19)26/h8-11,14-15,24-26H,7,12-13H2,1-6H3.
What are the key properties of 2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol?
2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol has a molecular weight of 355.52 g/mol, XLogP of 5.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-5-methylphenyl)-4-(2-methylbutan-2-ylamino)butan-2-yl]-4-methylphenol is sourced from PubChem (CID 57201454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).