2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol

C17H15N3O — CID 136752195

IUPAC2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol
SMILESCc1cccc2c(O)c(/N=N/c3ccc(N)cc3)ccc12
InChIInChI=1S/C17H15N3O/c1-11-3-2-4-15-14(11)9-10-16(17(15)21)20-19-13-7-5-12(18)6-8-13/h2-10,21H,18H2,1H3/b20-19+
InChIKeyPBEAIQJHCRYKIL-FMQUCBEESA-N
MW277.33 g/mol
LogP4.85
Rot. Bonds2

About 2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol

2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol (PubChem CID 136752195) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol.

Molecular Properties

Compound Name2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol
PubChem CID136752195
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol
SMILESCc1cccc2c(O)c(/N=N/c3ccc(N)cc3)ccc12
InChIInChI=1S/C17H15N3O/c1-11-3-2-4-15-14(11)9-10-16(17(15)21)20-19-13-7-5-12(18)6-8-13/h2-10,21H,18H2,1H3/b20-19+
InChIKeyPBEAIQJHCRYKIL-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
CID 137230626
7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol
CID 175748913
2-[(4-methoxyphenyl)diazenyl]naphthalene-1,5-diol
CID 137230625
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770
1-[4-[(4-aminophenyl)diazenyl]-N-(1-hydroxyethyl)-3-methylanilino]ethanol
CID 19834613
4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline
CID 131885167
2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
CID 135727414
6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol
CID 136606671
1,5-dimethylnaphthalene
CID 162159355
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
5-methyl-2-propan-2-ylnaphthalen-1-ol
CID 139817712
2,6-dimethyl-4-[(2-methylphenyl)diazenyl]phenol
CID 137240605

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol?
The IUPAC name of 2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol (CID 136752195) is 2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol.
What is the SMILES notation for 2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol?
The canonical SMILES for 2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol is Cc1cccc2c(O)c(/N=N/c3ccc(N)cc3)ccc12.
What is the InChIKey of 2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol?
The InChIKey is PBEAIQJHCRYKIL-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-3-2-4-15-14(11)9-10-16(17(15)21)20-19-13-7-5-12(18)6-8-13/h2-10,21H,18H2,1H3/b20-19+.
What are the key properties of 2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol?
2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol 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-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol is sourced from PubChem (CID 136752195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).