2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline

C15H15FN2O3 — CID 103463796

IUPAC2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline
SMILESCOCC(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1
InChIInChI=1S/C15H15FN2O3/c1-21-10-15(11-5-3-2-4-6-11)17-14-9-12(18(19)20)7-8-13(14)16/h2-9,15,17H,10H2,1H3
InChIKeyQIXHFUQDYRSEDX-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.53
Rot. Bonds6

About 2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline

2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline (PubChem CID 103463796) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline
PubChem CID103463796
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline
SMILESCOCC(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1
InChIInChI=1S/C15H15FN2O3/c1-21-10-15(11-5-3-2-4-6-11)17-14-9-12(18(19)20)7-8-13(14)16/h2-9,15,17H,10H2,1H3
InChIKeyQIXHFUQDYRSEDX-UHFFFAOYSA-N
XLogP3.53
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
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

2-fluoro-N-(2-methoxy-1-phenylethyl)-4-nitroaniline
CID 103703534
N-(2-methoxy-1-phenylethyl)-2-methyl-4-nitroaniline
CID 103463803
2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103584618
4-bromo-2,5-difluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 107609296
methyl 2-(2-fluoro-5-nitroanilino)butanoate
CID 113292447
2,5-difluoro-N-[1-(3-nitrophenyl)propyl]aniline
CID 43246208
N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
CID 4043303
N-(2,2-dimethoxyethyl)-2-fluoro-5-nitroaniline
CID 63695811
N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
CID 103463701
4-bromo-N-(2-methoxy-1-phenylethyl)-3-nitroaniline
CID 103464391
N-benzhydryl-2-methoxy-5-nitroaniline
CID 2489016
3-bromo-4-fluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464654

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline?
The IUPAC name of 2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline (CID 103463796) is 2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline.
What is the SMILES notation for 2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline?
The canonical SMILES for 2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline is COCC(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline?
The InChIKey is QIXHFUQDYRSEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-21-10-15(11-5-3-2-4-6-11)17-14-9-12(18(19)20)7-8-13(14)16/h2-9,15,17H,10H2,1H3.
What are the key properties of 2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline?
2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline has a molecular weight of 290.29 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxy-1-phenylethyl)-5-nitroaniline is sourced from PubChem (CID 103463796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).