2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol

C17H15N3O — CID 154145650

IUPAC2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol
SMILESCc1ccc(/N=N/c2c(N)ccc3ccccc23)c(O)c1
InChIInChI=1S/C17H15N3O/c1-11-6-9-15(16(21)10-11)19-20-17-13-5-3-2-4-12(13)7-8-14(17)18/h2-10,21H,18H2,1H3/b20-19+
InChIKeyMFWKZZIPGJBVKJ-FMQUCBEESA-N
MW277.33 g/mol
LogP4.85
Rot. Bonds2

About 2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol

2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol (PubChem CID 154145650) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol.

Molecular Properties

Compound Name2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol
PubChem CID154145650
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol
SMILESCc1ccc(/N=N/c2c(N)ccc3ccccc23)c(O)c1
InChIInChI=1S/C17H15N3O/c1-11-6-9-15(16(21)10-11)19-20-17-13-5-3-2-4-12(13)7-8-14(17)18/h2-10,21H,18H2,1H3/b20-19+
InChIKeyMFWKZZIPGJBVKJ-FMQUCBEESA-N
XLogP4.85
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.85
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

1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol
CID 137143767
1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol
CID 162122233
1-[[[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]diazenyl]diazenyl]naphthalen-2-ol
CID 162511969
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
CID 22117
1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
CID 11266515
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol
CID 2843870
1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
2-[2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylphenyl]-3-methyl-1H-pyrazol-5-one
CID 135436621
[3-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium chloride
CID 3081985
2-[(2-hydroxyphenyl)diazenyl]naphthalen-1-ol
CID 135744709
(2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene
CID 177409908

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol?
The IUPAC name of 2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol (CID 154145650) is 2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol.
What is the SMILES notation for 2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol?
The canonical SMILES for 2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol is Cc1ccc(/N=N/c2c(N)ccc3ccccc23)c(O)c1.
What is the InChIKey of 2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol?
The InChIKey is MFWKZZIPGJBVKJ-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-6-9-15(16(21)10-11)19-20-17-13-5-3-2-4-12(13)7-8-14(17)18/h2-10,21H,18H2,1H3/b20-19+.
What are the key properties of 2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol?
2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol has a molecular weight of 277.33 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol is sourced from PubChem (CID 154145650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).