1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine

C10H13FN2O2 — CID 63199917

IUPAC1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13FN2O2/c1-7(12-2)5-8-6-9(11)3-4-10(8)13(14)15/h3-4,6-7,12H,5H2,1-2H3
InChIKeyKJECOKBKLHBJSV-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.88
Rot. Bonds4

About 1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine

1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine (PubChem CID 63199917) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine
PubChem CID63199917
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13FN2O2/c1-7(12-2)5-8-6-9(11)3-4-10(8)13(14)15/h3-4,6-7,12H,5H2,1-2H3
InChIKeyKJECOKBKLHBJSV-UHFFFAOYSA-N
XLogP1.88
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-[(5-fluoro-2-nitrophenyl)methyl]-N-methylpentan-2-amine
CID 54897368
1-(5-fluoro-2-nitrophenyl)-4-methylpentan-2-amine
CID 65020156
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 43443500
N-ethyl-3-[(5-fluoro-2-nitrophenyl)methyl]pentan-2-amine
CID 61000465
N-[(5-fluoro-2-nitrophenyl)methyl]-1-phenylpropan-2-amine
CID 63012971
1-(5-fluoro-2-nitrophenyl)-N,4,4-trimethylpentan-3-amine
CID 54891057
methyl 3-amino-4-(5-fluoro-2-nitrophenyl)butanoate
CID 138688284
N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
CID 43443488
1-(4-fluoro-2-nitrophenyl)-N-propylpropan-2-amine
CID 63200165
N-[(5-fluoro-2-nitrophenyl)methyl]but-3-yn-2-amine
CID 114416580
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
3-(5-fluoro-2-nitrophenyl)-N-methylbutan-2-amine
CID 63199938

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine (CID 63199917) is 1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine is CNC(C)Cc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine?
The InChIKey is KJECOKBKLHBJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-7(12-2)5-8-6-9(11)3-4-10(8)13(14)15/h3-4,6-7,12H,5H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine?
1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine has a molecular weight of 212.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 63199917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).