[3-amino-4-(2-aminophenyl)phenyl]methanol

C13H14N2O — CID 68789508

IUPAC[3-amino-4-(2-aminophenyl)phenyl]methanol
SMILESNc1ccccc1-c1ccc(CO)cc1N
InChIInChI=1S/C13H14N2O/c14-12-4-2-1-3-10(12)11-6-5-9(8-16)7-13(11)15/h1-7,16H,8,14-15H2
InChIKeyQKMXGCAHAOIMPX-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.01
Rot. Bonds2

About [3-amino-4-(2-aminophenyl)phenyl]methanol

[3-amino-4-(2-aminophenyl)phenyl]methanol (PubChem CID 68789508) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is [3-amino-4-(2-aminophenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-amino-4-(2-aminophenyl)phenyl]methanol
PubChem CID68789508
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name[3-amino-4-(2-aminophenyl)phenyl]methanol
SMILESNc1ccccc1-c1ccc(CO)cc1N
InChIInChI=1S/C13H14N2O/c14-12-4-2-1-3-10(12)11-6-5-9(8-16)7-13(11)15/h1-7,16H,8,14-15H2
InChIKeyQKMXGCAHAOIMPX-UHFFFAOYSA-N
XLogP2.01
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(2-aminophenyl)phenyl]methanol?
The IUPAC name of [3-amino-4-(2-aminophenyl)phenyl]methanol (CID 68789508) is [3-amino-4-(2-aminophenyl)phenyl]methanol.
What is the SMILES notation for [3-amino-4-(2-aminophenyl)phenyl]methanol?
The canonical SMILES for [3-amino-4-(2-aminophenyl)phenyl]methanol is Nc1ccccc1-c1ccc(CO)cc1N.
What is the InChIKey of [3-amino-4-(2-aminophenyl)phenyl]methanol?
The InChIKey is QKMXGCAHAOIMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-12-4-2-1-3-10(12)11-6-5-9(8-16)7-13(11)15/h1-7,16H,8,14-15H2.
What are the key properties of [3-amino-4-(2-aminophenyl)phenyl]methanol?
[3-amino-4-(2-aminophenyl)phenyl]methanol has a molecular weight of 214.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(2-aminophenyl)phenyl]methanol is sourced from PubChem (CID 68789508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).