3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol

C15H17N3O — CID 159796589

IUPAC3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol
SMILESCc1cc(C)c(/N=N/c2ccc(O)cc2N)cc1C
InChIInChI=1S/C15H17N3O/c1-9-6-11(3)15(7-10(9)2)18-17-14-5-4-12(19)8-13(14)16/h4-8,19H,16H2,1-3H3/b18-17+
InChIKeyNJGAPYWYJOEWKS-ISLYRVAYSA-N
MW255.32 g/mol
LogP4.32
Rot. Bonds2

About 3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol

3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol (PubChem CID 159796589) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol
PubChem CID159796589
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol
SMILESCc1cc(C)c(/N=N/c2ccc(O)cc2N)cc1C
InChIInChI=1S/C15H17N3O/c1-9-6-11(3)15(7-10(9)2)18-17-14-5-4-12(19)8-13(14)16/h4-8,19H,16H2,1-3H3/b18-17+
InChIKeyNJGAPYWYJOEWKS-ISLYRVAYSA-N
XLogP4.32
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-hydroxyphenyl)iminomethanimidamide;ethane
CID 136652428
4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
CID 21443876
4,5-dimethyl-2-phenyldiazenylaniline
CID 88743909
4-[(2,4-diaminophenyl)diazenyl]-3-methylbenzenesulfonic acid
CID 20764501
4-amino-3-methylphenol;4-[1-[6-[N-(4-hydroxy-2-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-3-methylphenol
CID 158303255
2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline
CID 90364344
5-amino-4-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-2-methylphenol
CID 136639652
4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine
CID 58654539
5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol
CID 135689336
[4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol
CID 121277010
3,4-dimethylphenol;hydrofluoride
CID 163210270
N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 12906259

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol?
The IUPAC name of 3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol (CID 159796589) is 3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol.
What is the SMILES notation for 3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol?
The canonical SMILES for 3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol is Cc1cc(C)c(/N=N/c2ccc(O)cc2N)cc1C.
What is the InChIKey of 3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol?
The InChIKey is NJGAPYWYJOEWKS-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-6-11(3)15(7-10(9)2)18-17-14-5-4-12(19)8-13(14)16/h4-8,19H,16H2,1-3H3/b18-17+.
What are the key properties of 3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol?
3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol has a molecular weight of 255.32 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2,4,5-trimethylphenyl)diazenyl]phenol is sourced from PubChem (CID 159796589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).