3-(2,4-diaminophenyl)-4-methylphenol

C13H14N2O — CID 22061973

IUPAC3-(2,4-diaminophenyl)-4-methylphenol
SMILESCc1ccc(O)cc1-c1ccc(N)cc1N
InChIInChI=1S/C13H14N2O/c1-8-2-4-10(16)7-12(8)11-5-3-9(14)6-13(11)15/h2-7,16H,14-15H2,1H3
InChIKeyKMJHEHPWSUHRFW-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.53
Rot. Bonds1

About 3-(2,4-diaminophenyl)-4-methylphenol

3-(2,4-diaminophenyl)-4-methylphenol (PubChem CID 22061973) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(2,4-diaminophenyl)-4-methylphenol.

Molecular Properties

Compound Name3-(2,4-diaminophenyl)-4-methylphenol
PubChem CID22061973
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(2,4-diaminophenyl)-4-methylphenol
SMILESCc1ccc(O)cc1-c1ccc(N)cc1N
InChIInChI=1S/C13H14N2O/c1-8-2-4-10(16)7-12(8)11-5-3-9(14)6-13(11)15/h2-7,16H,14-15H2,1H3
InChIKeyKMJHEHPWSUHRFW-UHFFFAOYSA-N
XLogP2.53
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 16918
CID 16918
CID 8358
CID 8358
CID 66732
CID 66732
CID 6865
CID 6865
CID 14565
CID 14565
CID 90295
CID 90295
CID 16053
CID 16053
CID 146708
CID 146708
CID 11638242
CID 11638242
CID 71712304
CID 71712304
CID 20376
CID 20376
CID 428605
CID 428605

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diaminophenyl)-4-methylphenol?
The IUPAC name of 3-(2,4-diaminophenyl)-4-methylphenol (CID 22061973) is 3-(2,4-diaminophenyl)-4-methylphenol.
What is the SMILES notation for 3-(2,4-diaminophenyl)-4-methylphenol?
The canonical SMILES for 3-(2,4-diaminophenyl)-4-methylphenol is Cc1ccc(O)cc1-c1ccc(N)cc1N.
What is the InChIKey of 3-(2,4-diaminophenyl)-4-methylphenol?
The InChIKey is KMJHEHPWSUHRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-2-4-10(16)7-12(8)11-5-3-9(14)6-13(11)15/h2-7,16H,14-15H2,1H3.
What are the key properties of 3-(2,4-diaminophenyl)-4-methylphenol?
3-(2,4-diaminophenyl)-4-methylphenol has a molecular weight of 214.27 g/mol, XLogP of 2.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diaminophenyl)-4-methylphenol is sourced from PubChem (CID 22061973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).