4-tert-butyl-2-(propan-2-ylamino)phenol

C13H21NO — CID 23106838

IUPAC4-tert-butyl-2-(propan-2-ylamino)phenol
SMILESCC(C)Nc1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C13H21NO/c1-9(2)14-11-8-10(13(3,4)5)6-7-12(11)15/h6-9,14-15H,1-5H3
InChIKeyZJXMVSKUBBGWJZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.51
Rot. Bonds2

About 4-tert-butyl-2-(propan-2-ylamino)phenol

4-tert-butyl-2-(propan-2-ylamino)phenol (PubChem CID 23106838) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-tert-butyl-2-(propan-2-ylamino)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-(propan-2-ylamino)phenol
PubChem CID23106838
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-tert-butyl-2-(propan-2-ylamino)phenol
SMILESCC(C)Nc1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C13H21NO/c1-9(2)14-11-8-10(13(3,4)5)6-7-12(11)15/h6-9,14-15H,1-5H3
InChIKeyZJXMVSKUBBGWJZ-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-(propan-2-ylamino)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-chloro-N-propan-2-ylaniline
CID 135235361
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
(2R)-2-acetamido-N-(5-tert-butyl-2-hydroxyphenyl)-3-methylbutanamide
CID 51922854
2-[(1S)-1-aminoethyl]-4-tert-butylphenol
CID 95421722
(Z)-4-(5-tert-butyl-2-hydroxyanilino)pent-3-en-2-one
CID 139061491
4-tert-butyl-2-(4-methoxyanilino)phenol
CID 50924521
5-tert-butyl-2-[(propan-2-ylamino)methyl]phenol
CID 10331105
4-(propan-2-ylamino)benzene-1,3-diol
CID 83955270
4-tert-butyl-2-propan-2-ylphenol;formaldehyde
CID 174874962
(2S)-N-(5-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenoxy)propanamide
CID 39951259
(Z)-4-(5-tert-butyl-2-hydroxyanilino)-4-oxobut-2-enoic acid
CID 101041653
N-(5-tert-butyl-2-hydroxyphenyl)-N'-cyclopropylpiperidine-1-carboximidamide
CID 134121786

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(propan-2-ylamino)phenol?
The IUPAC name of 4-tert-butyl-2-(propan-2-ylamino)phenol (CID 23106838) is 4-tert-butyl-2-(propan-2-ylamino)phenol.
What is the SMILES notation for 4-tert-butyl-2-(propan-2-ylamino)phenol?
The canonical SMILES for 4-tert-butyl-2-(propan-2-ylamino)phenol is CC(C)Nc1cc(C(C)(C)C)ccc1O.
What is the InChIKey of 4-tert-butyl-2-(propan-2-ylamino)phenol?
The InChIKey is ZJXMVSKUBBGWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)14-11-8-10(13(3,4)5)6-7-12(11)15/h6-9,14-15H,1-5H3.
What are the key properties of 4-tert-butyl-2-(propan-2-ylamino)phenol?
4-tert-butyl-2-(propan-2-ylamino)phenol has a molecular weight of 207.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(propan-2-ylamino)phenol is sourced from PubChem (CID 23106838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).