2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol

C9H11FN2O3 — CID 112646656

IUPAC2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol
SMILESO=[N+]([O-])c1cc(F)cc(CNCCO)c1
InChIInChI=1S/C9H11FN2O3/c10-8-3-7(6-11-1-2-13)4-9(5-8)12(14)15/h3-5,11,13H,1-2,6H2
InChIKeyYFMKOGZZTUMHTN-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.82
Rot. Bonds5

About 2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol

2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol (PubChem CID 112646656) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is 2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol
PubChem CID112646656
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol
SMILESO=[N+]([O-])c1cc(F)cc(CNCCO)c1
InChIInChI=1S/C9H11FN2O3/c10-8-3-7(6-11-1-2-13)4-9(5-8)12(14)15/h3-5,11,13H,1-2,6H2
InChIKeyYFMKOGZZTUMHTN-UHFFFAOYSA-N
XLogP0.82
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-[(3-fluoro-5-nitrophenyl)methylamino]propanamide
CID 112646669
N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylsulfanylethanamine
CID 112646763
3-[(3-fluoro-5-nitrophenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 112646829
N-[(3-fluoro-5-nitrophenyl)methyl]-4-methylpentan-1-amine
CID 112646689
N-[2-[(3-fluoro-5-nitrophenyl)methylamino]ethyl]methanesulfonamide
CID 112646667
4-[(3-fluoro-5-nitrophenyl)methylamino]-1-methoxybutan-2-ol
CID 106246397
2-[(3-fluoro-5-nitrophenyl)methylamino]-N-methylacetamide
CID 112646650
N-[(3-fluoro-5-nitrophenyl)methyl]-2-prop-2-enylsulfanylethanamine
CID 106427380
6-[(3-fluoro-5-nitrophenyl)methylamino]-4-methylhexanoic acid
CID 115980893
2-[(3-fluoro-5-nitrophenyl)methylamino]propan-1-ol
CID 112646660
2-but-3-enoxy-N-[(3-fluoro-5-nitrophenyl)methyl]ethanamine
CID 106401328
N-[(3-fluoro-5-nitrophenyl)methyl]-2-methoxypropan-1-amine
CID 102698114

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol?
The IUPAC name of 2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol (CID 112646656) is 2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol?
The canonical SMILES for 2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol is O=[N+]([O-])c1cc(F)cc(CNCCO)c1.
What is the InChIKey of 2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol?
The InChIKey is YFMKOGZZTUMHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c10-8-3-7(6-11-1-2-13)4-9(5-8)12(14)15/h3-5,11,13H,1-2,6H2.
What are the key properties of 2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol?
2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol has a molecular weight of 214.20 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol is sourced from PubChem (CID 112646656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).