2-(2-tert-butyl-5-methylanilino)phenol

C17H21NO — CID 69284004

IUPAC2-(2-tert-butyl-5-methylanilino)phenol
SMILESCc1ccc(C(C)(C)C)c(Nc2ccccc2O)c1
InChIInChI=1S/C17H21NO/c1-12-9-10-13(17(2,3)4)15(11-12)18-14-7-5-6-8-16(14)19/h5-11,18-19H,1-4H3
InChIKeyCJDMJGJOTISESM-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.74
Rot. Bonds2

About 2-(2-tert-butyl-5-methylanilino)phenol

2-(2-tert-butyl-5-methylanilino)phenol (PubChem CID 69284004) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylanilino)phenol.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylanilino)phenol
PubChem CID69284004
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(2-tert-butyl-5-methylanilino)phenol
SMILESCc1ccc(C(C)(C)C)c(Nc2ccccc2O)c1
InChIInChI=1S/C17H21NO/c1-12-9-10-13(17(2,3)4)15(11-12)18-14-7-5-6-8-16(14)19/h5-11,18-19H,1-4H3
InChIKeyCJDMJGJOTISESM-UHFFFAOYSA-N
XLogP4.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
2,4-ditert-butyl-6-[(2-hydroxy-5-methylanilino)methyl]phenol
CID 101388446
4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 167009511
2-[2,5-bis(trifluoromethyl)anilino]phenol
CID 155290288
2-[2-(2-anilino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-methyl-N-phenylaniline
CID 87997946
2-tert-butylphenol;N-methylmethanamine
CID 161387965
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 108991730
2-[(2-tert-butylanilino)methyl]-4-methylphenol;2-[(2-methoxyanilino)methyl]-4-methylphenol
CID 167564894
2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974
CID 172777673
CID 172777673
2-tert-butylphenol;toluene
CID 175493501
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methylanilino)phenol?
The IUPAC name of 2-(2-tert-butyl-5-methylanilino)phenol (CID 69284004) is 2-(2-tert-butyl-5-methylanilino)phenol.
What is the SMILES notation for 2-(2-tert-butyl-5-methylanilino)phenol?
The canonical SMILES for 2-(2-tert-butyl-5-methylanilino)phenol is Cc1ccc(C(C)(C)C)c(Nc2ccccc2O)c1.
What is the InChIKey of 2-(2-tert-butyl-5-methylanilino)phenol?
The InChIKey is CJDMJGJOTISESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-9-10-13(17(2,3)4)15(11-12)18-14-7-5-6-8-16(14)19/h5-11,18-19H,1-4H3.
What are the key properties of 2-(2-tert-butyl-5-methylanilino)phenol?
2-(2-tert-butyl-5-methylanilino)phenol has a molecular weight of 255.36 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methylanilino)phenol is sourced from PubChem (CID 69284004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).