5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol

C9H11FN2O3 — CID 117305133

IUPAC5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol
SMILESCNCCc1cc([N+](=O)[O-])c(F)cc1O
InChIInChI=1S/C9H11FN2O3/c1-11-3-2-6-4-8(12(14)15)7(10)5-9(6)13/h4-5,11,13H,2-3H2,1H3
InChIKeyUZDBTEYRGIHDSS-UHFFFAOYSA-N
MW214.20 g/mol
LogP1.20
Rot. Bonds4

About 5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol

5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol (PubChem CID 117305133) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is 5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol.

Molecular Properties

Compound Name5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol
PubChem CID117305133
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol
SMILESCNCCc1cc([N+](=O)[O-])c(F)cc1O
InChIInChI=1S/C9H11FN2O3/c1-11-3-2-6-4-8(12(14)15)7(10)5-9(6)13/h4-5,11,13H,2-3H2,1H3
InChIKeyUZDBTEYRGIHDSS-UHFFFAOYSA-N
XLogP1.20
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluoro-5-nitrophenyl)-4-(methylamino)butane-1,2-diol
CID 171890904
(2,4-difluoro-5-nitrophenyl)methanol
CID 43753541
2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol
CID 117293116
2-bromo-5-fluoro-4-nitrophenol
CID 66598465
3-(2,4-dihydroxy-5-nitrophenyl)propanoic acid
CID 112719952
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
N-(2,4-difluoro-5-nitrophenyl)-4-(methylamino)butanamide
CID 54925209
4-(ethylaminomethyl)-6-nitrobenzene-1,3-diol
CID 112719991
2-[2-(bromomethyl)-5-fluoro-4-nitrophenyl]acetic acid
CID 171010475
4-[(2,4-difluoro-5-nitrophenyl)methylamino]butanoic acid
CID 54920866
N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114615391
2-[(2,4-difluoro-5-nitrophenyl)methylamino]-4-methylpentan-1-ol
CID 61245835

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol?
The IUPAC name of 5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol (CID 117305133) is 5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol.
What is the SMILES notation for 5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol?
The canonical SMILES for 5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol is CNCCc1cc([N+](=O)[O-])c(F)cc1O.
What is the InChIKey of 5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol?
The InChIKey is UZDBTEYRGIHDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-11-3-2-6-4-8(12(14)15)7(10)5-9(6)13/h4-5,11,13H,2-3H2,1H3.
What are the key properties of 5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol?
5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol has a molecular weight of 214.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(methylamino)ethyl]-4-nitrophenol is sourced from PubChem (CID 117305133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).