4-[(4-aminophenyl)diazenyl]naphthalen-1-amine

C16H14N4 — CID 22416

IUPAC4-[(4-aminophenyl)diazenyl]naphthalen-1-amine
SMILESNc1ccc(/N=N/c2ccc(N)c3ccccc23)cc1
InChIInChI=1S/C16H14N4/c17-11-5-7-12(8-6-11)19-20-16-10-9-15(18)13-3-1-2-4-14(13)16/h1-10H,17-18H2/b20-19+
InChIKeyQDPSGELUBXFKSB-FMQUCBEESA-N
MW262.32 g/mol
LogP4.42
Rot. Bonds2

About 4-[(4-aminophenyl)diazenyl]naphthalen-1-amine

4-[(4-aminophenyl)diazenyl]naphthalen-1-amine (PubChem CID 22416) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-[(4-aminophenyl)diazenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[(4-aminophenyl)diazenyl]naphthalen-1-amine
PubChem CID22416
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name4-[(4-aminophenyl)diazenyl]naphthalen-1-amine
SMILESNc1ccc(/N=N/c2ccc(N)c3ccccc23)cc1
InChIInChI=1S/C16H14N4/c17-11-5-7-12(8-6-11)19-20-16-10-9-15(18)13-3-1-2-4-14(13)16/h1-10H,17-18H2/b20-19+
InChIKeyQDPSGELUBXFKSB-FMQUCBEESA-N
XLogP4.42
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 54.42
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

Phenyl-1-naphthylamine
CID 7013
2-Naphthylamine
CID 7057
1-Naphthylamine
CID 8640
1,5-Diaminonaphthalene
CID 16720
1-Aminopyrene
CID 15352
Yellow No. 2
CID 6824
1,8-Diaminonaphthalene
CID 68067
1-Aminoanthracene
CID 11885
1-Naphthalenamine, 4-(phenylazo)-
CID 8562
o-Aminoazotoluene
CID 7340
6-Aminochrysene
CID 17534
1-(2-(2-Methylphenyl)diazenyl)-2-naphthalenamine
CID 8578

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)diazenyl]naphthalen-1-amine?
The IUPAC name of 4-[(4-aminophenyl)diazenyl]naphthalen-1-amine (CID 22416) is 4-[(4-aminophenyl)diazenyl]naphthalen-1-amine.
What is the SMILES notation for 4-[(4-aminophenyl)diazenyl]naphthalen-1-amine?
The canonical SMILES for 4-[(4-aminophenyl)diazenyl]naphthalen-1-amine is Nc1ccc(/N=N/c2ccc(N)c3ccccc23)cc1.
What is the InChIKey of 4-[(4-aminophenyl)diazenyl]naphthalen-1-amine?
The InChIKey is QDPSGELUBXFKSB-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14N4/c17-11-5-7-12(8-6-11)19-20-16-10-9-15(18)13-3-1-2-4-14(13)16/h1-10H,17-18H2/b20-19+.
What are the key properties of 4-[(4-aminophenyl)diazenyl]naphthalen-1-amine?
4-[(4-aminophenyl)diazenyl]naphthalen-1-amine has a molecular weight of 262.32 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)diazenyl]naphthalen-1-amine is sourced from PubChem (CID 22416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).