N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline

C15H15FN2O2 — CID 60970463

IUPACN-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline
SMILESCc1cc(NC(C)c2ccccc2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O2/c1-10-9-12(7-8-15(10)18(19)20)17-11(2)13-5-3-4-6-14(13)16/h3-9,11,17H,1-2H3
InChIKeyNOLPRHVPDZPSKJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP4.22
Rot. Bonds4

About N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline

N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline (PubChem CID 60970463) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline
PubChem CID60970463
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline
SMILESCc1cc(NC(C)c2ccccc2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O2/c1-10-9-12(7-8-15(10)18(19)20)17-11(2)13-5-3-4-6-14(13)16/h3-9,11,17H,1-2H3
InChIKeyNOLPRHVPDZPSKJ-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

N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
N-[1-(2-fluorophenyl)ethyl]-3-methyl-5-nitroaniline
CID 115981308
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine
CID 60631383
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-nitroaniline
CID 63455070
4-bromo-N-[1-(2-methylphenyl)ethyl]-3-nitroaniline
CID 79768073
2,6-difluoro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
CID 103828365
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633
5-fluoro-N-[1-(2-methylphenyl)ethyl]-2-nitroaniline
CID 62377990
2-fluoro-5-methyl-N-[1-(2-nitrophenyl)ethyl]aniline
CID 43147672
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-chloro-4-nitroaniline
CID 82962942
2-(3-methyl-4-nitroanilino)-N-phenylpropanamide
CID 133310966

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline (CID 60970463) is N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline is Cc1cc(NC(C)c2ccccc2F)ccc1[N+](=O)[O-].
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline?
The InChIKey is NOLPRHVPDZPSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-9-12(7-8-15(10)18(19)20)17-11(2)13-5-3-4-6-14(13)16/h3-9,11,17H,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline?
N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline 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 N-[1-(2-fluorophenyl)ethyl]-3-methyl-4-nitroaniline is sourced from PubChem (CID 60970463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).