3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide

C18H21FN2O2 — CID 120608378

IUPAC3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCN(CCOc1ccccc1F)C(=O)CCc1ccccc1N
InChIInChI=1S/C18H21FN2O2/c1-21(12-13-23-17-9-5-3-7-15(17)19)18(22)11-10-14-6-2-4-8-16(14)20/h2-9H,10-13,20H2,1H3
InChIKeySMMLVAANUQFYPJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.88
Rot. Bonds7

About 3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide

3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide (PubChem CID 120608378) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
PubChem CID120608378
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCN(CCOc1ccccc1F)C(=O)CCc1ccccc1N
InChIInChI=1S/C18H21FN2O2/c1-21(12-13-23-17-9-5-3-7-15(17)19)18(22)11-10-14-6-2-4-8-16(14)20/h2-9H,10-13,20H2,1H3
InChIKeySMMLVAANUQFYPJ-UHFFFAOYSA-N
XLogP2.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide 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

3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide;hydrochloride
CID 120608367
3-(2-aminophenyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 120608115
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
CID 81062073
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 134049964
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide
CID 120611859
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31666101

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide (CID 120608378) is 3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide is CN(CCOc1ccccc1F)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
The InChIKey is SMMLVAANUQFYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-21(12-13-23-17-9-5-3-7-15(17)19)18(22)11-10-14-6-2-4-8-16(14)20/h2-9H,10-13,20H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide?
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide has a molecular weight of 316.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 120608378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).