1-[(2-methylphenyl)diazenyl]naphthalen-2-amine

C17H15N3 — CID 8578

IUPAC1-[(2-methylphenyl)diazenyl]naphthalen-2-amine
SMILESCc1ccccc1/N=N/c1c(N)ccc2ccccc12
InChIInChI=1S/C17H15N3/c1-12-6-2-5-9-16(12)19-20-17-14-8-4-3-7-13(14)10-11-15(17)18/h2-11H,18H2,1H3/b20-19+
InChIKeyBWLVSYUUKOQICP-FMQUCBEESA-N
MW261.33 g/mol
LogP5.15
Rot. Bonds2

About 1-[(2-methylphenyl)diazenyl]naphthalen-2-amine

1-[(2-methylphenyl)diazenyl]naphthalen-2-amine (PubChem CID 8578) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[(2-methylphenyl)diazenyl]naphthalen-2-amine.

Molecular Properties

Compound Name1-[(2-methylphenyl)diazenyl]naphthalen-2-amine
PubChem CID8578
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name1-[(2-methylphenyl)diazenyl]naphthalen-2-amine
SMILESCc1ccccc1/N=N/c1c(N)ccc2ccccc12
InChIInChI=1S/C17H15N3/c1-12-6-2-5-9-16(12)19-20-17-14-8-4-3-7-13(14)10-11-15(17)18/h2-11H,18H2,1H3/b20-19+
InChIKeyBWLVSYUUKOQICP-FMQUCBEESA-N
XLogP5.15
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.33
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)diazenyl]naphthalen-2-amine?
The IUPAC name of 1-[(2-methylphenyl)diazenyl]naphthalen-2-amine (CID 8578) is 1-[(2-methylphenyl)diazenyl]naphthalen-2-amine.
What is the SMILES notation for 1-[(2-methylphenyl)diazenyl]naphthalen-2-amine?
The canonical SMILES for 1-[(2-methylphenyl)diazenyl]naphthalen-2-amine is Cc1ccccc1/N=N/c1c(N)ccc2ccccc12.
What is the InChIKey of 1-[(2-methylphenyl)diazenyl]naphthalen-2-amine?
The InChIKey is BWLVSYUUKOQICP-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3/c1-12-6-2-5-9-16(12)19-20-17-14-8-4-3-7-13(14)10-11-15(17)18/h2-11H,18H2,1H3/b20-19+.
What are the key properties of 1-[(2-methylphenyl)diazenyl]naphthalen-2-amine?
1-[(2-methylphenyl)diazenyl]naphthalen-2-amine has a molecular weight of 261.33 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)diazenyl]naphthalen-2-amine is sourced from PubChem (CID 8578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).