4-(4-amino-3-methylanilino)phenol

C13H14N2O — CID 22586

IUPAC4-(4-amino-3-methylanilino)phenol
SMILESCc1cc(Nc2ccc(O)cc2)ccc1N
InChIInChI=1S/C13H14N2O/c1-9-8-11(4-7-13(9)14)15-10-2-5-12(16)6-3-10/h2-8,15-16H,14H2,1H3
InChIKeyJGXPJGJSAMZYBO-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.03
Rot. Bonds2

About 4-(4-amino-3-methylanilino)phenol

4-(4-amino-3-methylanilino)phenol (PubChem CID 22586) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(4-amino-3-methylanilino)phenol.

Molecular Properties

Compound Name4-(4-amino-3-methylanilino)phenol
PubChem CID22586
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(4-amino-3-methylanilino)phenol
SMILESCc1cc(Nc2ccc(O)cc2)ccc1N
InChIInChI=1S/C13H14N2O/c1-9-8-11(4-7-13(9)14)15-10-2-5-12(16)6-3-10/h2-8,15-16H,14H2,1H3
InChIKeyJGXPJGJSAMZYBO-UHFFFAOYSA-N
XLogP3.03
TPSA58.28 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 ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxydiphenylamine
CID 31208
4-(2-Naphthylamino)phenol
CID 7141
2-Hydroxycarbamazepine
CID 129274
2,2,4-Trimethyl-1,2-dihydro-6-quinolinol
CID 599799
4-(Benzylamino)phenol
CID 7637
Alpha-(meta-toluidino)-ortho-cresol
CID 3236648
Phenol, 4,4'-iminobis-
CID 74461
4-Acetamido-2-methylphenol
CID 85384
[11C]4-N-methylamino-4-hydroxystilbene
CID 5702297
4-(4-(Methylamino)styryl)phenol
CID 10013901
N-(4-Hydroxyphenyl)cinnamamide
CID 639942
4-Hydroxy-4'-methyldiphenylamine
CID 344299

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylanilino)phenol?
The IUPAC name of 4-(4-amino-3-methylanilino)phenol (CID 22586) is 4-(4-amino-3-methylanilino)phenol.
What is the SMILES notation for 4-(4-amino-3-methylanilino)phenol?
The canonical SMILES for 4-(4-amino-3-methylanilino)phenol is Cc1cc(Nc2ccc(O)cc2)ccc1N.
What is the InChIKey of 4-(4-amino-3-methylanilino)phenol?
The InChIKey is JGXPJGJSAMZYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-8-11(4-7-13(9)14)15-10-2-5-12(16)6-3-10/h2-8,15-16H,14H2,1H3.
What are the key properties of 4-(4-amino-3-methylanilino)phenol?
4-(4-amino-3-methylanilino)phenol has a molecular weight of 214.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylanilino)phenol is sourced from PubChem (CID 22586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).