1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine

C16H17FN2O2 — CID 63062284

IUPAC1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-12(13-6-8-15(17)9-7-13)18-11-10-14-4-2-3-5-16(14)19(20)21/h2-9,12,18H,10-11H2,1H3
InChIKeyXIRCARHSBMGUBF-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.63
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine

1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine (PubChem CID 63062284) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
PubChem CID63062284
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-12(13-6-8-15(17)9-7-13)18-11-10-14-4-2-3-5-16(14)19(20)21/h2-9,12,18H,10-11H2,1H3
InChIKeyXIRCARHSBMGUBF-UHFFFAOYSA-N
XLogP3.63
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.63
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

(1S)-1-(4-methylphenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 81349422
(1R)-1-(4-bromophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 81356224
(1R)-1-(3-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 81352544
N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine
CID 167788707
N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 43297293
3-methyl-N-[2-(2-nitrophenyl)ethyl]butan-2-amine
CID 63062789
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642
(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
CID 28564784
N-[2-(2-nitrophenyl)ethyl]pentan-3-amine
CID 55145860
(1S)-1-(4-fluorophenyl)-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81348173
1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 43223746
4-methyl-2-[2-(2-nitrophenyl)ethylamino]pentan-1-ol
CID 63062794

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine (CID 63062284) is 1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine is CC(NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine?
The InChIKey is XIRCARHSBMGUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-12(13-6-8-15(17)9-7-13)18-11-10-14-4-2-3-5-16(14)19(20)21/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine?
1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine has a molecular weight of 288.32 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine is sourced from PubChem (CID 63062284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).