2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol

C15H16N4O3 — CID 19819208

IUPAC2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
SMILESCC(CO)Nc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H16N4O3/c1-11(10-20)16-12-2-4-13(5-3-12)17-18-14-6-8-15(9-7-14)19(21)22/h2-9,11,16,20H,10H2,1H3/b18-17+
InChIKeyZJFWWZHMMFWQCY-ISLYRVAYSA-N
MW300.32 g/mol
LogP3.80
Rot. Bonds6

About 2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol

2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol (PubChem CID 19819208) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol.

Molecular Properties

Compound Name2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
PubChem CID19819208
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
SMILESCC(CO)Nc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H16N4O3/c1-11(10-20)16-12-2-4-13(5-3-12)17-18-14-6-8-15(9-7-14)19(21)22/h2-9,11,16,20H,10H2,1H3/b18-17+
InChIKeyZJFWWZHMMFWQCY-ISLYRVAYSA-N
XLogP3.80
TPSA100.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-(4-nitroanilino)propyl]azanium iodide
CID 22155036
N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 23104376
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386
(2S)-2-(4-nitroanilino)propanoic acid;hydrochloride
CID 69175766
2-[N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
CID 88568422
N-[(2S)-3-methylbutan-2-yl]-4-nitroaniline
CID 28826145
4-nitro-N-nonan-2-ylaniline
CID 43719788
methyl 3-hydroxy-2-(4-nitroanilino)propanoate
CID 62004923
2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
CID 19819197
[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene
CID 177395808
(2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol
CID 16659475
methyl-(4-nitrophenyl)diazene
CID 20760343

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol?
The IUPAC name of 2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol (CID 19819208) is 2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol.
What is the SMILES notation for 2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol?
The canonical SMILES for 2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol is CC(CO)Nc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol?
The InChIKey is ZJFWWZHMMFWQCY-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-11(10-20)16-12-2-4-13(5-3-12)17-18-14-6-8-15(9-7-14)19(21)22/h2-9,11,16,20H,10H2,1H3/b18-17+.
What are the key properties of 2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol?
2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol has a molecular weight of 300.32 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol is sourced from PubChem (CID 19819208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).