[4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol

C15H17N3O — CID 121277010

IUPAC[4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol
SMILESCc1cc(/N=N/c2ccc(CO)cc2)c(C)cc1N
InChIInChI=1S/C15H17N3O/c1-10-8-15(11(2)7-14(10)16)18-17-13-5-3-12(9-19)4-6-13/h3-8,19H,9,16H2,1-2H3/b18-17+
InChIKeyRJORAMSUCFVMAK-ISLYRVAYSA-N
MW255.32 g/mol
LogP3.79
Rot. Bonds3

About [4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol

[4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol (PubChem CID 121277010) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol
PubChem CID121277010
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol
SMILESCc1cc(/N=N/c2ccc(CO)cc2)c(C)cc1N
InChIInChI=1S/C15H17N3O/c1-10-8-15(11(2)7-14(10)16)18-17-13-5-3-12(9-19)4-6-13/h3-8,19H,9,16H2,1-2H3/b18-17+
InChIKeyRJORAMSUCFVMAK-ISLYRVAYSA-N
XLogP3.79
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.79
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

2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 21343265
4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline
CID 148790382
4-[(4-chlorophenyl)diazenyl]-6-methylbenzene-1,3-diamine
CID 20545497
acetic acid;4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine
CID 6453253
4,5-dimethyl-2-phenyldiazenylaniline
CID 88743909
4-[[4-[(4-carboxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzoic acid
CID 177296906
diethyl 5-[[4-(hydroxymethyl)phenyl]diazenyl]benzene-1,3-dicarboxylate
CID 15528106
[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]diazenyl]-5-methylphenyl]methyl 2-methylprop-2-enoate
CID 135993585
5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol
CID 135689336
3-[2-[(4-amino-2,5-dimethylphenyl)diazenyl]-4-methyl-5-phenyldiazenylphenoxy]propane-1-sulfonic acid;sulfur trioxide
CID 160788387
CID 58331004
CID 58331004
7-[(4-amino-2,5-dimethylphenyl)diazenyl]-3-(3-sulfopropoxy)naphthalene-1-sulfonic acid
CID 88925293

Frequently Asked Questions

What is the IUPAC name of [4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol?
The IUPAC name of [4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol (CID 121277010) is [4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol.
What is the SMILES notation for [4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol?
The canonical SMILES for [4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol is Cc1cc(/N=N/c2ccc(CO)cc2)c(C)cc1N.
What is the InChIKey of [4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol?
The InChIKey is RJORAMSUCFVMAK-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-8-15(11(2)7-14(10)16)18-17-13-5-3-12(9-19)4-6-13/h3-8,19H,9,16H2,1-2H3/b18-17+.
What are the key properties of [4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol?
[4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol has a molecular weight of 255.32 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-amino-2,5-dimethylphenyl)diazenyl]phenyl]methanol is sourced from PubChem (CID 121277010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).