1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol

C11H15FN2O3 — CID 107349234

IUPAC1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C11H15FN2O3/c1-11(2,15)7-13-6-8-4-3-5-9(10(8)12)14(16)17/h3-5,13,15H,6-7H2,1-2H3
InChIKeyVEEGMYPFFVQKLU-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.59
Rot. Bonds5

About 1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol

1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol (PubChem CID 107349234) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol
PubChem CID107349234
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C11H15FN2O3/c1-11(2,15)7-13-6-8-4-3-5-9(10(8)12)14(16)17/h3-5,13,15H,6-7H2,1-2H3
InChIKeyVEEGMYPFFVQKLU-UHFFFAOYSA-N
XLogP1.59
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.59
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

4-[(2-fluoro-3-nitrophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 106146699
N-[1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 107349186
2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350087
3-[(2-fluoro-3-nitrophenyl)methylamino]-3-methylbutan-2-ol
CID 107349471
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 107348887
3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol
CID 107349266
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 107349277
4,4,4-trifluoro-N-[(2-fluoro-3-nitrophenyl)methyl]butan-1-amine
CID 107349368
2-[(2-fluoro-3-nitrophenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 107348064
2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol
CID 107348946
N-[(2-fluoro-3-nitrophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106429284
N-[2-[(2-fluoro-3-nitrophenyl)methylamino]ethyl]methanesulfonamide
CID 107348955

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol (CID 107349234) is 1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol is CC(C)(O)CNCc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol?
The InChIKey is VEEGMYPFFVQKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-11(2,15)7-13-6-8-4-3-5-9(10(8)12)14(16)17/h3-5,13,15H,6-7H2,1-2H3.
What are the key properties of 1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol?
1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol has a molecular weight of 242.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 107349234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).