N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine

C11H15FN2O2 — CID 43443500

IUPACN-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15FN2O2/c1-8(2)6-13-7-9-5-10(12)3-4-11(9)14(15)16/h3-5,8,13H,6-7H2,1-2H3
InChIKeyOOFRXLJMMNDOFV-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.48
Rot. Bonds5

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

N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine (PubChem CID 43443500) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine
PubChem CID43443500
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15FN2O2/c1-8(2)6-13-7-9-5-10(12)3-4-11(9)14(15)16/h3-5,8,13H,6-7H2,1-2H3
InChIKeyOOFRXLJMMNDOFV-UHFFFAOYSA-N
XLogP2.48
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.48
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

N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
CID 43443488
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
1-cyclopropyl-2-[(5-fluoro-2-nitrophenyl)methylamino]ethanol
CID 63296533
N-[(5-fluoro-2-nitrophenyl)methyl]-1-phenylmethanamine
CID 43443505
N-[(5-fluoro-2-nitrophenyl)methyl]but-3-yn-2-amine
CID 114416580
N'-[(5-fluoro-2-nitrophenyl)methyl]propane-1,3-diamine
CID 62275208
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43443606
N-[(5-fluoro-2-nitrophenyl)methyl]-1-thiophen-3-ylmethanamine
CID 63248080
3-[(5-fluoro-2-nitrophenyl)methylamino]-4-methylpentan-1-ol
CID 104892104
1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine
CID 63199917
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43443534
1-(5-ethylthiophen-2-yl)-N-[(5-fluoro-2-nitrophenyl)methyl]methanamine
CID 106010790

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine (CID 43443500) is N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is OOFRXLJMMNDOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8(2)6-13-7-9-5-10(12)3-4-11(9)14(15)16/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine?
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 226.25 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-nitrophenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 43443500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).