4-(benzylamino)phenol

C13H13NO — CID 7637

IUPAC4-(benzylamino)phenol
SMILESOc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKeySRYYOKKLTBRLHT-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.00
Rot. Bonds3

About 4-(benzylamino)phenol

4-(benzylamino)phenol (PubChem CID 7637) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(benzylamino)phenol.

Molecular Properties

Compound Name4-(benzylamino)phenol
PubChem CID7637
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name4-(benzylamino)phenol
SMILESOc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKeySRYYOKKLTBRLHT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

n-Methyl-p-aminophenol
CID 5931
4-Hydroxydiphenylamine
CID 31208
Metol
CID 5930
3-Ethylamino-4-methylphenol
CID 8428
C.I. Sulphur Blue 7
CID 22586
p-(1-Piperazinyl)phenol
CID 92467
2,2,4-Trimethyl-1,2-dihydro-6-quinolinol
CID 599799
2-Hydroxydesipramine
CID 121249
Alpha-(meta-toluidino)-ortho-cresol
CID 3236648
Alpha-(para-toluidino)-ortho-cresol
CID 4114014
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)phenol?
The IUPAC name of 4-(benzylamino)phenol (CID 7637) is 4-(benzylamino)phenol.
What is the SMILES notation for 4-(benzylamino)phenol?
The canonical SMILES for 4-(benzylamino)phenol is Oc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of 4-(benzylamino)phenol?
The InChIKey is SRYYOKKLTBRLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2.
What are the key properties of 4-(benzylamino)phenol?
4-(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 4-(benzylamino)phenol is sourced from PubChem (CID 7637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).