4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline

C15H15FN2O2 — CID 62810884

IUPAC4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline
SMILESCc1cc(NC(C)c2ccc([N+](=O)[O-])cc2)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-10-9-13(5-8-15(10)16)17-11(2)12-3-6-14(7-4-12)18(19)20/h3-9,11,17H,1-2H3
InChIKeyDUYIETDHRKVWPJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP4.22
Rot. Bonds4

About 4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline

4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline (PubChem CID 62810884) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline
PubChem CID62810884
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline
SMILESCc1cc(NC(C)c2ccc([N+](=O)[O-])cc2)ccc1F
InChIInChI=1S/C15H15FN2O2/c1-10-9-13(5-8-15(10)16)17-11(2)12-3-6-14(7-4-12)18(19)20/h3-9,11,17H,1-2H3
InChIKeyDUYIETDHRKVWPJ-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'}

Analyze 4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
CID 30226768
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-nitroaniline
CID 43785837
N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline
CID 63476341
5-chloro-2-fluoro-N-[1-(4-nitrophenyl)ethyl]aniline
CID 43438216
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 43425323
N-[1-(4-nitrophenyl)ethyl]-3-propan-2-ylaniline
CID 43297372
3-methylsulfanyl-N-[1-(4-nitrophenyl)ethyl]aniline
CID 43297261
3-[1-(4-nitrophenyl)ethylamino]phenol
CID 43297394
4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869
3,4-dimethyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43081035
4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43396000
N-[1-(4-methylphenyl)ethyl]-3-nitroaniline
CID 43718027

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline?
The IUPAC name of 4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline (CID 62810884) is 4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline?
The canonical SMILES for 4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline is Cc1cc(NC(C)c2ccc([N+](=O)[O-])cc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline?
The InChIKey is DUYIETDHRKVWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-9-13(5-8-15(10)16)17-11(2)12-3-6-14(7-4-12)18(19)20/h3-9,11,17H,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline?
4-fluoro-3-methyl-N-[1-(4-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 4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline is sourced from PubChem (CID 62810884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).