2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol

C17H19F2N3O2 — CID 4164065

IUPAC2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
SMILESCc1cc(N(CCO)CCO)ccc1/N=N/c1cc(F)ccc1F
InChIInChI=1S/C17H19F2N3O2/c1-12-10-14(22(6-8-23)7-9-24)3-5-16(12)20-21-17-11-13(18)2-4-15(17)19/h2-5,10-11,23-24H,6-9H2,1H3/b21-20+
InChIKeyGXZTYQUEABMZSU-QZQOTICOSA-N
MW335.35 g/mol
LogP3.48
Rot. Bonds7

About 2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol

2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol (PubChem CID 4164065) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
PubChem CID4164065
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
SMILESCc1cc(N(CCO)CCO)ccc1/N=N/c1cc(F)ccc1F
InChIInChI=1S/C17H19F2N3O2/c1-12-10-14(22(6-8-23)7-9-24)3-5-16(12)20-21-17-11-13(18)2-4-15(17)19/h2-5,10-11,23-24H,6-9H2,1H3/b21-20+
InChIKeyGXZTYQUEABMZSU-QZQOTICOSA-N
XLogP3.48
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[3-methyl-4-[(4-nitrophenyl)diazenyl]-N-propylanilino]ethanol
CID 165108289
2-amino-4-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]imino-3,5-dimethylcyclohexa-2,5-dien-1-one
CID 70623245
2-[N-(2-hydroxyethyl)-4-[(2-methyl-4-nitrophenyl)diazenyl]anilino]ethanol
CID 71387840
2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate
CID 13007468
2-[4-[(2-dodecylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol
CID 18326918
2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 81273324
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
4-[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]diazenyl]benzenesulfonamide
CID 54210128
2-[2-[[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylphenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]acetate
CID 87572921
2-[[4-[bis(2-methoxyethyl)amino]-2-methylphenyl]diazenyl]-3-methyl-1,3-thiazol-3-ium-4-carboxylic acid
CID 147368006
5-[bis(2-hydroxyethyl)amino]-2-nitrosophenol
CID 89139773
4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid
CID 112694436

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The IUPAC name of 2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol (CID 4164065) is 2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The canonical SMILES for 2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol is Cc1cc(N(CCO)CCO)ccc1/N=N/c1cc(F)ccc1F.
What is the InChIKey of 2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The InChIKey is GXZTYQUEABMZSU-QZQOTICOSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-12-10-14(22(6-8-23)7-9-24)3-5-16(12)20-21-17-11-13(18)2-4-15(17)19/h2-5,10-11,23-24H,6-9H2,1H3/b21-20+.
What are the key properties of 2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol has a molecular weight of 335.35 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol is sourced from PubChem (CID 4164065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).