2-(2,5-difluoro-4-methoxyanilino)ethanol

C9H11F2NO2 — CID 82648067

IUPAC2-(2,5-difluoro-4-methoxyanilino)ethanol
SMILESCOc1cc(F)c(NCCO)cc1F
InChIInChI=1S/C9H11F2NO2/c1-14-9-5-6(10)8(4-7(9)11)12-2-3-13/h4-5,12-13H,2-3H2,1H3
InChIKeyWPVTZUFTDCKGJH-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.38
Rot. Bonds4

About 2-(2,5-difluoro-4-methoxyanilino)ethanol

2-(2,5-difluoro-4-methoxyanilino)ethanol (PubChem CID 82648067) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methoxyanilino)ethanol.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methoxyanilino)ethanol
PubChem CID82648067
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-(2,5-difluoro-4-methoxyanilino)ethanol
SMILESCOc1cc(F)c(NCCO)cc1F
InChIInChI=1S/C9H11F2NO2/c1-14-9-5-6(10)8(4-7(9)11)12-2-3-13/h4-5,12-13H,2-3H2,1H3
InChIKeyWPVTZUFTDCKGJH-UHFFFAOYSA-N
XLogP1.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,5-difluoro-4-methoxyphenyl)-3-methylbutane-1,3-diamine
CID 115200419
N-(chloromethyl)-2,5-difluoro-4-methoxyaniline
CID 115262759
3-(2,5-difluoro-4-methoxyanilino)propane-1,2-diol
CID 115121931
1-N-(2,5-difluoro-4-methoxyphenyl)-4-methylpentane-1,4-diamine
CID 115205186
2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 115257699
2,5-difluoro-4-methoxy-N-methylaniline
CID 82648042
3-(2,5-difluoro-4-methoxyanilino)-2,2-dimethylpropanoic acid
CID 115136445
4-(2-amino-4-fluoro-5-methoxyanilino)butan-1-ol
CID 106840294
N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide
CID 115162824
2-(3,4,5-trimethoxyanilino)ethanol
CID 28571961
2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244554
3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119340315

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methoxyanilino)ethanol?
The IUPAC name of 2-(2,5-difluoro-4-methoxyanilino)ethanol (CID 82648067) is 2-(2,5-difluoro-4-methoxyanilino)ethanol.
What is the SMILES notation for 2-(2,5-difluoro-4-methoxyanilino)ethanol?
The canonical SMILES for 2-(2,5-difluoro-4-methoxyanilino)ethanol is COc1cc(F)c(NCCO)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methoxyanilino)ethanol?
The InChIKey is WPVTZUFTDCKGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-14-9-5-6(10)8(4-7(9)11)12-2-3-13/h4-5,12-13H,2-3H2,1H3.
What are the key properties of 2-(2,5-difluoro-4-methoxyanilino)ethanol?
2-(2,5-difluoro-4-methoxyanilino)ethanol has a molecular weight of 203.19 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-methoxyanilino)ethanol is sourced from PubChem (CID 82648067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).