N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine

C11H15FN2O2 — CID 70295850

IUPACN-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
SMILESCCN(CC)Cc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C11H15FN2O2/c1-3-13(4-2)8-9-6-5-7-10(11(9)12)14(15)16/h5-7H,3-4,8H2,1-2H3
InChIKeyRHFZWIAWNFTBFT-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.58
Rot. Bonds5

About N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine

N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine (PubChem CID 70295850) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
PubChem CID70295850
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
SMILESCCN(CC)Cc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C11H15FN2O2/c1-3-13(4-2)8-9-6-5-7-10(11(9)12)14(15)16/h5-7H,3-4,8H2,1-2H3
InChIKeyRHFZWIAWNFTBFT-UHFFFAOYSA-N
XLogP2.58
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
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

1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
N-[(2-fluoro-3-nitrophenyl)methyl]-N,2,2-trimethylpropan-1-amine
CID 107348267
CID 159928766
CID 159928766
4-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylcyclohexan-1-amine
CID 107348198
3-[(2-fluoro-3-nitrophenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 107348317
1-(4-bromophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylmethanamine
CID 107348163
methyl 2-[(2-fluoro-3-nitrophenyl)methyl-methylamino]acetate
CID 107350578
N-[(2-fluoro-3-nitrophenyl)methyl]-N,2,4-trimethylaniline
CID 107348277
3-[ethyl-[(2-nitrophenyl)methyl]amino]propanenitrile
CID 54942473
CID 167576969
CID 167576969
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 41439050
2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol
CID 107350928

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine (CID 70295850) is N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine is CCN(CC)Cc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine?
The InChIKey is RHFZWIAWNFTBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-3-13(4-2)8-9-6-5-7-10(11(9)12)14(15)16/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine?
N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine has a molecular weight of 226.25 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 70295850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).