4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline

C16H17FN2O2 — CID 103591618

IUPAC4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline
SMILESCc1ccc(C(C)Nc2cc(C)c(F)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H17FN2O2/c1-10-4-6-13(7-5-10)12(3)18-15-8-11(2)14(17)9-16(15)19(20)21/h4-9,12,18H,1-3H3
InChIKeyDEXQVTPFGGOJCB-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.52
Rot. Bonds4

About 4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline

4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline (PubChem CID 103591618) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline.

Molecular Properties

Compound Name4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline
PubChem CID103591618
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline
SMILESCc1ccc(C(C)Nc2cc(C)c(F)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H17FN2O2/c1-10-4-6-13(7-5-10)12(3)18-15-8-11(2)14(17)9-16(15)19(20)21/h4-9,12,18H,1-3H3
InChIKeyDEXQVTPFGGOJCB-UHFFFAOYSA-N
XLogP4.52
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.52
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-(4-chlorophenyl)ethyl]-4-methyl-2-nitroaniline
CID 43718670
4-bromo-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline
CID 43746616
4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 103590140
4-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-methyl-3-nitrobenzenesulfonamide
CID 133350404
N-[1-(4-aminophenyl)ethyl]-5-methyl-2-nitroaniline
CID 116650528
2,4-difluoro-N-[1-(4-methyl-3-nitrophenyl)ethyl]aniline
CID 43097830
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
2,4-difluoro-N-[1-(4-fluorophenyl)ethyl]-5-nitroaniline
CID 43725174
4-fluoro-5-methyl-2-nitro-N-pent-4-en-2-ylaniline
CID 103591884
N-[1-(3,4-difluorophenyl)ethyl]-2,4-dinitroaniline
CID 84929910
(4-fluoro-5-methyl-2-nitrophenyl)hydrazine
CID 103591242
N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-nitroaniline
CID 43718677

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline?
The IUPAC name of 4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline (CID 103591618) is 4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline.
What is the SMILES notation for 4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline?
The canonical SMILES for 4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline is Cc1ccc(C(C)Nc2cc(C)c(F)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline?
The InChIKey is DEXQVTPFGGOJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-4-6-13(7-5-10)12(3)18-15-8-11(2)14(17)9-16(15)19(20)21/h4-9,12,18H,1-3H3.
What are the key properties of 4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline?
4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline has a molecular weight of 288.32 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-nitroaniline is sourced from PubChem (CID 103591618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).