4-amino-2-(2,5-diamino-4-methylanilino)phenol

C13H16N4O — CID 118867539

IUPAC4-amino-2-(2,5-diamino-4-methylanilino)phenol
SMILESCc1cc(N)c(Nc2cc(N)ccc2O)cc1N
InChIInChI=1S/C13H16N4O/c1-7-4-10(16)11(6-9(7)15)17-12-5-8(14)2-3-13(12)18/h2-6,17-18H,14-16H2,1H3
InChIKeyNEVCEFMYIRFEIB-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.19
Rot. Bonds2

About 4-amino-2-(2,5-diamino-4-methylanilino)phenol

4-amino-2-(2,5-diamino-4-methylanilino)phenol (PubChem CID 118867539) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-2-(2,5-diamino-4-methylanilino)phenol.

Molecular Properties

Compound Name4-amino-2-(2,5-diamino-4-methylanilino)phenol
PubChem CID118867539
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-2-(2,5-diamino-4-methylanilino)phenol
SMILESCc1cc(N)c(Nc2cc(N)ccc2O)cc1N
InChIInChI=1S/C13H16N4O/c1-7-4-10(16)11(6-9(7)15)17-12-5-8(14)2-3-13(12)18/h2-6,17-18H,14-16H2,1H3
InChIKeyNEVCEFMYIRFEIB-UHFFFAOYSA-N
XLogP2.19
TPSA110.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(5-amino-2-hydroxyanilino)-2-methylphenol
CID 67898341
5-amino-4-(2-hydroxyanilino)-2-methylphenol
CID 57133652
4-aminophenol;2-methylbenzene-1,4-diamine
CID 160894868
2-methylbenzene-1,4-diamine;sulfane
CID 174900310
2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine
CID 135123549
2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126652
5-amino-3-(2-hydroxyanilino)-2-methylphenol
CID 57106055
4-methylbenzene-1,3-diamine
CID 159171817
5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine
CID 90784227
5-amino-2-methylphenol;4-aminophenol
CID 162229145
N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 154116632
4-amino-2-(3-methylbutylamino)phenol
CID 130450908

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,5-diamino-4-methylanilino)phenol?
The IUPAC name of 4-amino-2-(2,5-diamino-4-methylanilino)phenol (CID 118867539) is 4-amino-2-(2,5-diamino-4-methylanilino)phenol.
What is the SMILES notation for 4-amino-2-(2,5-diamino-4-methylanilino)phenol?
The canonical SMILES for 4-amino-2-(2,5-diamino-4-methylanilino)phenol is Cc1cc(N)c(Nc2cc(N)ccc2O)cc1N.
What is the InChIKey of 4-amino-2-(2,5-diamino-4-methylanilino)phenol?
The InChIKey is NEVCEFMYIRFEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-7-4-10(16)11(6-9(7)15)17-12-5-8(14)2-3-13(12)18/h2-6,17-18H,14-16H2,1H3.
What are the key properties of 4-amino-2-(2,5-diamino-4-methylanilino)phenol?
4-amino-2-(2,5-diamino-4-methylanilino)phenol has a molecular weight of 244.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,5-diamino-4-methylanilino)phenol is sourced from PubChem (CID 118867539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).