5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline

C15H15FN2O2 — CID 43081672

IUPAC5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline
SMILESCc1ccc(F)cc1NC(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O2/c1-10-6-7-13(16)9-15(10)17-11(2)12-4-3-5-14(8-12)18(19)20/h3-9,11,17H,1-2H3
InChIKeyZWNBHJDJSWAFHT-UHFFFAOYSA-N
MW274.30 g/mol
LogP4.22
Rot. Bonds4

About 5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline

5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline (PubChem CID 43081672) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline
PubChem CID43081672
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline
SMILESCc1ccc(F)cc1NC(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O2/c1-10-6-7-13(16)9-15(10)17-11(2)12-4-3-5-14(8-12)18(19)20/h3-9,11,17H,1-2H3
InChIKeyZWNBHJDJSWAFHT-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

3,4-dimethyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43081035
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43093379
N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 43718530
4-iodo-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43226863
3-iodo-4-methyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43226906
5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-methyl-4-nitroaniline
CID 115555809
4-bromo-3,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 107572088
2,5-dibromo-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43736577
2,4-dibromo-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43226882
2,5-difluoro-N-[1-(3-nitrophenyl)propyl]aniline
CID 43246208
N-[1-(3,4-dimethylphenyl)ethyl]-3-nitroaniline
CID 43717983
2-[1-(2-methyl-5-nitroanilino)ethyl]benzene-1,3-diol
CID 107710663

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline (CID 43081672) is 5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline is Cc1ccc(F)cc1NC(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline?
The InChIKey is ZWNBHJDJSWAFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-6-7-13(16)9-15(10)17-11(2)12-4-3-5-14(8-12)18(19)20/h3-9,11,17H,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline?
5-fluoro-2-methyl-N-[1-(3-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 5-fluoro-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline is sourced from PubChem (CID 43081672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).