N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline

C15H15FN2O2 — CID 62589948

IUPACN-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline
SMILESCc1ccc([N+](=O)[O-])cc1NCCc1ccccc1F
InChIInChI=1S/C15H15FN2O2/c1-11-6-7-13(18(19)20)10-15(11)17-9-8-12-4-2-3-5-14(12)16/h2-7,10,17H,8-9H2,1H3
InChIKeyZYRZITIKGNGFSA-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.70
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline

N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline (PubChem CID 62589948) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline
PubChem CID62589948
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline
SMILESCc1ccc([N+](=O)[O-])cc1NCCc1ccccc1F
InChIInChI=1S/C15H15FN2O2/c1-11-6-7-13(18(19)20)10-15(11)17-9-8-12-4-2-3-5-14(12)16/h2-7,10,17H,8-9H2,1H3
InChIKeyZYRZITIKGNGFSA-UHFFFAOYSA-N
XLogP3.70
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.70
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

5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-nitroaniline
CID 115555653
5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-nitroaniline
CID 115469570
2-methyl-5-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 63227359
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-2-nitroaniline
CID 29053854
5-bromo-4-fluoro-2-methyl-N-[2-(2-nitrophenyl)ethyl]aniline
CID 107592138
actinium;2-(2-methyl-5-nitroanilino)ethylazanide
CID 21364796
N-[(3,4-difluorophenyl)methyl]-2-methyl-5-nitroaniline
CID 43425335
2-methyl-5-nitro-N-(2-phenoxyethyl)aniline
CID 60720575
N-[(2-fluorophenyl)methyl]-2-methoxy-5-nitroaniline
CID 792668
N-[(2-chloro-5-nitrophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 43462250
2,6-difluoro-4-[(2-methyl-5-nitroanilino)methyl]phenol
CID 79882741
N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 43297293

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline (CID 62589948) is N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline is Cc1ccc([N+](=O)[O-])cc1NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline?
The InChIKey is ZYRZITIKGNGFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-11-6-7-13(18(19)20)10-15(11)17-9-8-12-4-2-3-5-14(12)16/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline?
N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline has a molecular weight of 274.30 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline is sourced from PubChem (CID 62589948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).