4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol

C12H20N2O — CID 105462116

IUPAC4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol
SMILESCC(C)(C)C(CN)Nc1ccc(O)cc1
InChIInChI=1S/C12H20N2O/c1-12(2,3)11(8-13)14-9-4-6-10(15)7-5-9/h4-7,11,14-15H,8,13H2,1-3H3
InChIKeyHHSRGLPXUVEGAG-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.18
Rot. Bonds3

About 4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol

4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol (PubChem CID 105462116) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol
PubChem CID105462116
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol
SMILESCC(C)(C)C(CN)Nc1ccc(O)cc1
InChIInChI=1S/C12H20N2O/c1-12(2,3)11(8-13)14-9-4-6-10(15)7-5-9/h4-7,11,14-15H,8,13H2,1-3H3
InChIKeyHHSRGLPXUVEGAG-UHFFFAOYSA-N
XLogP2.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol?
The IUPAC name of 4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol (CID 105462116) is 4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol.
What is the SMILES notation for 4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol?
The canonical SMILES for 4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol is CC(C)(C)C(CN)Nc1ccc(O)cc1.
What is the InChIKey of 4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol?
The InChIKey is HHSRGLPXUVEGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,3)11(8-13)14-9-4-6-10(15)7-5-9/h4-7,11,14-15H,8,13H2,1-3H3.
What are the key properties of 4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol?
4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol has a molecular weight of 208.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol is sourced from PubChem (CID 105462116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).