N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline

C15H14F2N2O2 — CID 43764592

IUPACN-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C15H14F2N2O2/c1-2-10-5-3-4-6-14(10)18-9-11-7-15(19(20)21)13(17)8-12(11)16/h3-8,18H,2,9H2,1H3
InChIKeyYZBRKFVTJXUTMM-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.05
Rot. Bonds5

About N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline

N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline (PubChem CID 43764592) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline
PubChem CID43764592
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC NameN-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C15H14F2N2O2/c1-2-10-5-3-4-6-14(10)18-9-11-7-15(19(20)21)13(17)8-12(11)16/h3-8,18H,2,9H2,1H3
InChIKeyYZBRKFVTJXUTMM-UHFFFAOYSA-N
XLogP4.05
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.05
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-N-[(2,4-difluoro-5-nitrophenyl)methyl]aniline
CID 43763132
2-ethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28583356
N-[(2,4-difluoro-5-nitrophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 107462425
2-chloro-N-[(2,4-difluoro-5-nitrophenyl)methyl]-5-methylaniline
CID 107630959
N-[(2,4-difluoro-5-nitrophenyl)methyl]-6-fluoropyridin-2-amine
CID 116812899
N-[(2,4-difluoro-5-nitrophenyl)methyl]-3-fluoroaniline
CID 43762235
N-[(2,4-difluorophenyl)methyl]-2,4-difluoro-5-nitroaniline
CID 43725093
N-[(4-bromo-3-nitrophenyl)methyl]-2-ethylaniline
CID 43764517
3-chloro-N-[(2,4-difluoro-5-nitrophenyl)methyl]aniline
CID 43762125
2-[(2,4-difluoro-5-nitroanilino)methyl]-6-methylphenol
CID 115951355
N-benzyl-2,4-difluoro-5-nitroaniline
CID 43725145
N-[(2-bromo-4-nitrophenyl)methyl]-2-ethylaniline
CID 60792155

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline?
The IUPAC name of N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline (CID 43764592) is N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline.
What is the SMILES notation for N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline?
The canonical SMILES for N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline is CCc1ccccc1NCc1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline?
The InChIKey is YZBRKFVTJXUTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-2-10-5-3-4-6-14(10)18-9-11-7-15(19(20)21)13(17)8-12(11)16/h3-8,18H,2,9H2,1H3.
What are the key properties of N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline?
N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline has a molecular weight of 292.29 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline is sourced from PubChem (CID 43764592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).