8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol

C18H17N3O — CID 135714413

IUPAC8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol
SMILESCc1cc(N)c2c(O)c(/N=N/c3ccccc3)c(C)cc2c1
InChIInChI=1S/C18H17N3O/c1-11-8-13-10-12(2)17(18(22)16(13)15(19)9-11)21-20-14-6-4-3-5-7-14/h3-10,22H,19H2,1-2H3/b21-20+
InChIKeyCNCREOGOYJDOCA-QZQOTICOSA-N
MW291.35 g/mol
LogP5.16
Rot. Bonds2

About 8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol

8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol (PubChem CID 135714413) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol.

Molecular Properties

Compound Name8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol
PubChem CID135714413
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol
SMILESCc1cc(N)c2c(O)c(/N=N/c3ccccc3)c(C)cc2c1
InChIInChI=1S/C18H17N3O/c1-11-8-13-10-12(2)17(18(22)16(13)15(19)9-11)21-20-14-6-4-3-5-7-14/h3-10,22H,19H2,1-2H3/b21-20+
InChIKeyCNCREOGOYJDOCA-QZQOTICOSA-N
XLogP5.16
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.35
LogP ≤ 55.16
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

8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol
CID 135733615
N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide
CID 135698143
8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene
CID 136649512
(3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene
CID 54187201
6-methyl-1-phenyldiazenylnaphthalen-2-ol
CID 135829765
4-amino-5-hydroxy-3-(methyldiazenyl)-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135854949
CID 137221161
CID 137221161
4-[[1-amino-7-[[4-(2,2-dimethoxy-2-phenylacetyl)phenyl]diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-2-yl]diazenyl]benzonitrile
CID 136613538
ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane
CID 136648288
4-amino-5-hydroxy-3-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136934696
4,5-dimethyl-2-phenyldiazenylaniline
CID 88743909
disodium;8-amino-2-phenyldiazenylnaphthalen-1-ol;hydride
CID 173060250

Frequently Asked Questions

What is the IUPAC name of 8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol?
The IUPAC name of 8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol (CID 135714413) is 8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol.
What is the SMILES notation for 8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol?
The canonical SMILES for 8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol is Cc1cc(N)c2c(O)c(/N=N/c3ccccc3)c(C)cc2c1.
What is the InChIKey of 8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol?
The InChIKey is CNCREOGOYJDOCA-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-8-13-10-12(2)17(18(22)16(13)15(19)9-11)21-20-14-6-4-3-5-7-14/h3-10,22H,19H2,1-2H3/b21-20+.
What are the key properties of 8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol?
8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol has a molecular weight of 291.35 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol is sourced from PubChem (CID 135714413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).