2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline

C15H15FN2O2 — CID 43147672

IUPAC2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline
SMILESCc1ccc(F)c(NC(C)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O2/c1-10-7-8-13(16)14(9-10)17-11(2)12-5-3-4-6-15(12)18(19)20/h3-9,11,17H,1-2H3
InChIKeySLUJNAIFMOALCA-UHFFFAOYSA-N
MW274.30 g/mol
LogP4.22
Rot. Bonds4

About 2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline

2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline (PubChem CID 43147672) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline
PubChem CID43147672
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline
SMILESCc1ccc(F)c(NC(C)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O2/c1-10-7-8-13(16)14(9-10)17-11(2)12-5-3-4-6-15(12)18(19)20/h3-9,11,17H,1-2H3
InChIKeySLUJNAIFMOALCA-UHFFFAOYSA-N
XLogP4.22
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 54.22
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

2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline
CID 43150386
N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-nitroaniline
CID 43718677
N-[1-(2,5-dimethylphenyl)ethyl]-5-methyl-2-nitroaniline
CID 115912334
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-nitroaniline
CID 43785497
4-methoxy-2-methyl-N-[1-(2-nitrophenyl)ethyl]aniline
CID 62867174
5-fluoro-N-[1-(2-methylphenyl)ethyl]-2-nitroaniline
CID 62377990
N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline
CID 60970463
2-[1-(2-nitrophenyl)ethylamino]benzoic acid
CID 43139514
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-2-nitroaniline
CID 43217989
3,5-difluoro-N-[1-(2-methylphenyl)ethyl]-2-nitroaniline
CID 115507838
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-nitroaniline
CID 82963521
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-nitroaniline
CID 82963677

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline?
The IUPAC name of 2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline (CID 43147672) is 2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline is Cc1ccc(F)c(NC(C)c2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline?
The InChIKey is SLUJNAIFMOALCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-7-8-13(16)14(9-10)17-11(2)12-5-3-4-6-15(12)18(19)20/h3-9,11,17H,1-2H3.
What are the key properties of 2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline?
2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline has a molecular weight of 274.30 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline is sourced from PubChem (CID 43147672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).