3-(benzylamino)phenol

C13H13NO — CID 12713133

IUPAC3-(benzylamino)phenol
SMILESOc1cccc(NCc2ccccc2)c1
InChIInChI=1S/C13H13NO/c15-13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h1-9,14-15H,10H2
InChIKeyFJOQLJFFNTWVOV-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.00
Rot. Bonds3

About 3-(benzylamino)phenol

3-(benzylamino)phenol (PubChem CID 12713133) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(benzylamino)phenol.

Molecular Properties

Compound Name3-(benzylamino)phenol
PubChem CID12713133
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-(benzylamino)phenol
SMILESOc1cccc(NCc2ccccc2)c1
InChIInChI=1S/C13H13NO/c15-13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h1-9,14-15H,10H2
InChIKeyFJOQLJFFNTWVOV-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)phenol?
The IUPAC name of 3-(benzylamino)phenol (CID 12713133) is 3-(benzylamino)phenol.
What is the SMILES notation for 3-(benzylamino)phenol?
The canonical SMILES for 3-(benzylamino)phenol is Oc1cccc(NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylamino)phenol?
The InChIKey is FJOQLJFFNTWVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h1-9,14-15H,10H2.
What are the key properties of 3-(benzylamino)phenol?
3-(benzylamino)phenol has a molecular weight of 199.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)phenol is sourced from PubChem (CID 12713133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).