4-[(4-methylphenyl)methylamino]phenol

C14H15NO — CID 833988

IUPAC4-[(4-methylphenyl)methylamino]phenol
SMILESCc1ccc(CNc2ccc(O)cc2)cc1
InChIInChI=1S/C14H15NO/c1-11-2-4-12(5-3-11)10-15-13-6-8-14(16)9-7-13/h2-9,15-16H,10H2,1H3
InChIKeyUSKQHOISYIBLIL-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.31
Rot. Bonds3

About 4-[(4-methylphenyl)methylamino]phenol

4-[(4-methylphenyl)methylamino]phenol (PubChem CID 833988) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methylamino]phenol.

Molecular Properties

Compound Name4-[(4-methylphenyl)methylamino]phenol
PubChem CID833988
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-[(4-methylphenyl)methylamino]phenol
SMILESCc1ccc(CNc2ccc(O)cc2)cc1
InChIInChI=1S/C14H15NO/c1-11-2-4-12(5-3-11)10-15-13-6-8-14(16)9-7-13/h2-9,15-16H,10H2,1H3
InChIKeyUSKQHOISYIBLIL-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.31
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'}

Analyze 4-[(4-methylphenyl)methylamino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-(Benzylamino)phenol
CID 7637
Alpha-(meta-toluidino)-ortho-cresol
CID 3236648
Alpha-(para-toluidino)-ortho-cresol
CID 4114014
N-Benzyl-4-methoxyaniline
CID 519413

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methylamino]phenol?
The IUPAC name of 4-[(4-methylphenyl)methylamino]phenol (CID 833988) is 4-[(4-methylphenyl)methylamino]phenol.
What is the SMILES notation for 4-[(4-methylphenyl)methylamino]phenol?
The canonical SMILES for 4-[(4-methylphenyl)methylamino]phenol is Cc1ccc(CNc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methylamino]phenol?
The InChIKey is USKQHOISYIBLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-2-4-12(5-3-11)10-15-13-6-8-14(16)9-7-13/h2-9,15-16H,10H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methylamino]phenol?
4-[(4-methylphenyl)methylamino]phenol has a molecular weight of 213.28 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methylamino]phenol is sourced from PubChem (CID 833988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).