[2-(naphthalen-1-yldiazenyl)phenyl]methanamine

C17H15N3 — CID 161282982

IUPAC[2-(naphthalen-1-yldiazenyl)phenyl]methanamine
SMILESNCc1ccccc1/N=N/c1cccc2ccccc12
InChIInChI=1S/C17H15N3/c18-12-14-7-2-4-10-16(14)19-20-17-11-5-8-13-6-1-3-9-15(13)17/h1-11H,12,18H2/b20-19+
InChIKeyCDGDTQHDYNYLGS-FMQUCBEESA-N
MW261.33 g/mol
LogP4.71
Rot. Bonds3

About [2-(naphthalen-1-yldiazenyl)phenyl]methanamine

[2-(naphthalen-1-yldiazenyl)phenyl]methanamine (PubChem CID 161282982) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is [2-(naphthalen-1-yldiazenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(naphthalen-1-yldiazenyl)phenyl]methanamine
PubChem CID161282982
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name[2-(naphthalen-1-yldiazenyl)phenyl]methanamine
SMILESNCc1ccccc1/N=N/c1cccc2ccccc12
InChIInChI=1S/C17H15N3/c18-12-14-7-2-4-10-16(14)19-20-17-11-5-8-13-6-1-3-9-15(13)17/h1-11H,12,18H2/b20-19+
InChIKeyCDGDTQHDYNYLGS-FMQUCBEESA-N
XLogP4.71
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

CID 175078571
CID 175078571
(2-bromophenyl)-naphthalen-1-yldiazene
CID 581691
2-methylpropan-2-amine;naphthalen-1-ylmethanamine
CID 142317452
methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene
CID 21337324
1-amino-3-naphthalen-1-yliminothiourea
CID 88755624
(1-chloronaphthalen-2-yl)methanamine
CID 22286820
(4-methylphenyl)-naphthalen-1-yldiazene
CID 20700715
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
N'-naphthalen-1-ylmethanimidamide
CID 86244741
(2-azidophenyl)methanamine
CID 10997194
(2-pyren-4-ylphenyl)methanamine
CID 150408947
naphthalen-1-yl-(2-naphthalen-1-ylnaphthalen-1-yl)diazene
CID 87715057

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-yldiazenyl)phenyl]methanamine?
The IUPAC name of [2-(naphthalen-1-yldiazenyl)phenyl]methanamine (CID 161282982) is [2-(naphthalen-1-yldiazenyl)phenyl]methanamine.
What is the SMILES notation for [2-(naphthalen-1-yldiazenyl)phenyl]methanamine?
The canonical SMILES for [2-(naphthalen-1-yldiazenyl)phenyl]methanamine is NCc1ccccc1/N=N/c1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-yldiazenyl)phenyl]methanamine?
The InChIKey is CDGDTQHDYNYLGS-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3/c18-12-14-7-2-4-10-16(14)19-20-17-11-5-8-13-6-1-3-9-15(13)17/h1-11H,12,18H2/b20-19+.
What are the key properties of [2-(naphthalen-1-yldiazenyl)phenyl]methanamine?
[2-(naphthalen-1-yldiazenyl)phenyl]methanamine has a molecular weight of 261.33 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-yldiazenyl)phenyl]methanamine is sourced from PubChem (CID 161282982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).