2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol

C15H15FN2O3 — CID 115345045

IUPAC2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol
SMILESCc1cc(F)cc(NCC(O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H15FN2O3/c1-10-6-12(16)8-13(7-10)17-9-15(19)11-2-4-14(5-3-11)18(20)21/h2-8,15,17,19H,9H2,1H3
InChIKeyRNQFQXHWWQTZTK-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.19
Rot. Bonds5

About 2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol

2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol (PubChem CID 115345045) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol
PubChem CID115345045
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol
SMILESCc1cc(F)cc(NCC(O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H15FN2O3/c1-10-6-12(16)8-13(7-10)17-9-15(19)11-2-4-14(5-3-11)18(20)21/h2-8,15,17,19H,9H2,1H3
InChIKeyRNQFQXHWWQTZTK-UHFFFAOYSA-N
XLogP3.19
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol 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

2-(3-methyl-5-nitroanilino)-1-phenylethanol
CID 115981217
2-(2-bromo-4-fluoroanilino)-1-(4-nitrophenyl)ethanol
CID 115344898
2-(4-methylsulfanylanilino)-1-(4-nitrophenyl)ethanol
CID 115344857
1-(3,5-dimethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea
CID 46800287
(1R)-2-(3,4-dichloroanilino)-1-(4-nitrophenyl)ethanol
CID 6991040
3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 41176072
5-(3-fluoro-5-nitroanilino)-4-methylpentanoic acid
CID 82683831
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
2-(2,2-difluoroethylamino)-1-(4-nitrophenyl)ethanol
CID 115406788
2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]-1-(4-fluorophenyl)ethanol
CID 60567668
1-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 115345025
2-(3-methylbutan-2-ylamino)-1-(4-nitrophenyl)ethanol
CID 81344643

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol?
The IUPAC name of 2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol (CID 115345045) is 2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol.
What is the SMILES notation for 2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol?
The canonical SMILES for 2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol is Cc1cc(F)cc(NCC(O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol?
The InChIKey is RNQFQXHWWQTZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10-6-12(16)8-13(7-10)17-9-15(19)11-2-4-14(5-3-11)18(20)21/h2-8,15,17,19H,9H2,1H3.
What are the key properties of 2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol?
2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol has a molecular weight of 290.29 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol is sourced from PubChem (CID 115345045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).