2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol

C20H20N2O — CID 118464192

IUPAC2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol
SMILESNN(Cc1ccccc1)Cc1cccc(-c2ccccc2O)c1
InChIInChI=1S/C20H20N2O/c21-22(14-16-7-2-1-3-8-16)15-17-9-6-10-18(13-17)19-11-4-5-12-20(19)23/h1-13,23H,14-15,21H2
InChIKeyGSRHLBJLBONUJO-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.94
Rot. Bonds5

About 2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol

2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol (PubChem CID 118464192) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol.

Molecular Properties

Compound Name2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol
PubChem CID118464192
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol
SMILESNN(Cc1ccccc1)Cc1cccc(-c2ccccc2O)c1
InChIInChI=1S/C20H20N2O/c21-22(14-16-7-2-1-3-8-16)15-17-9-6-10-18(13-17)19-11-4-5-12-20(19)23/h1-13,23H,14-15,21H2
InChIKeyGSRHLBJLBONUJO-UHFFFAOYSA-N
XLogP3.94
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol?
The IUPAC name of 2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol (CID 118464192) is 2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol.
What is the SMILES notation for 2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol?
The canonical SMILES for 2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol is NN(Cc1ccccc1)Cc1cccc(-c2ccccc2O)c1.
What is the InChIKey of 2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol?
The InChIKey is GSRHLBJLBONUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c21-22(14-16-7-2-1-3-8-16)15-17-9-6-10-18(13-17)19-11-4-5-12-20(19)23/h1-13,23H,14-15,21H2.
What are the key properties of 2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol?
2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol has a molecular weight of 304.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[amino(benzyl)amino]methyl]phenyl]phenol is sourced from PubChem (CID 118464192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).