2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile

C15H13FN2O2 — CID 62266985

IUPAC2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCC(O)c1ccc(N)cc1
InChIInChI=1S/C15H13FN2O2/c16-13-2-1-3-15(12(13)8-17)20-9-14(19)10-4-6-11(18)7-5-10/h1-7,14,19H,9,18H2
InChIKeyUOZSSLRMRPBGQE-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.39
Rot. Bonds4

About 2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile

2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile (PubChem CID 62266985) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile
PubChem CID62266985
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCC(O)c1ccc(N)cc1
InChIInChI=1S/C15H13FN2O2/c16-13-2-1-3-15(12(13)8-17)20-9-14(19)10-4-6-11(18)7-5-10/h1-7,14,19H,9,18H2
InChIKeyUOZSSLRMRPBGQE-UHFFFAOYSA-N
XLogP2.39
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-aminophenyl)-2-hydroxyethoxy]-3-fluorobenzonitrile
CID 107670256
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
CID 97243449
2-fluoro-6-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
CID 97243450
2-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]-6-fluorobenzonitrile
CID 109416148
2-(2-cyano-3-fluorophenoxy)acetohydrazide
CID 63569107
2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43609128
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
CID 69356263
1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
CID 62265767
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile
CID 43609046

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile (CID 62266985) is 2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile is N#Cc1c(F)cccc1OCC(O)c1ccc(N)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile?
The InChIKey is UOZSSLRMRPBGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-13-2-1-3-15(12(13)8-17)20-9-14(19)10-4-6-11(18)7-5-10/h1-7,14,19H,9,18H2.
What are the key properties of 2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile?
2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile has a molecular weight of 272.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile is sourced from PubChem (CID 62266985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).