2-(1-aminopropan-2-ylamino)phenol

C9H14N2O — CID 105433034

IUPAC2-(1-aminopropan-2-ylamino)phenol
SMILESCC(CN)Nc1ccccc1O
InChIInChI=1S/C9H14N2O/c1-7(6-10)11-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6,10H2,1H3
InChIKeyIRXKNJFGLNXGDZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.15
Rot. Bonds3

About 2-(1-aminopropan-2-ylamino)phenol

2-(1-aminopropan-2-ylamino)phenol (PubChem CID 105433034) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylamino)phenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylamino)phenol
PubChem CID105433034
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(1-aminopropan-2-ylamino)phenol
SMILESCC(CN)Nc1ccccc1O
InChIInChI=1S/C9H14N2O/c1-7(6-10)11-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6,10H2,1H3
InChIKeyIRXKNJFGLNXGDZ-UHFFFAOYSA-N
XLogP1.15
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylamino)phenol?
The IUPAC name of 2-(1-aminopropan-2-ylamino)phenol (CID 105433034) is 2-(1-aminopropan-2-ylamino)phenol.
What is the SMILES notation for 2-(1-aminopropan-2-ylamino)phenol?
The canonical SMILES for 2-(1-aminopropan-2-ylamino)phenol is CC(CN)Nc1ccccc1O.
What is the InChIKey of 2-(1-aminopropan-2-ylamino)phenol?
The InChIKey is IRXKNJFGLNXGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(6-10)11-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6,10H2,1H3.
What are the key properties of 2-(1-aminopropan-2-ylamino)phenol?
2-(1-aminopropan-2-ylamino)phenol has a molecular weight of 166.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylamino)phenol is sourced from PubChem (CID 105433034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).