3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide

C14H19F3N2O2 — CID 61107702

IUPAC3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)CCOc1ccccc1N
InChIInChI=1S/C14H19F3N2O2/c1-2-8-19(10-14(15,16)17)13(20)7-9-21-12-6-4-3-5-11(12)18/h3-6H,2,7-10,18H2,1H3
InChIKeyOQSDUMPMMPFUMT-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.84
Rot. Bonds7

About 3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide

3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 61107702) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID61107702
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)CCOc1ccccc1N
InChIInChI=1S/C14H19F3N2O2/c1-2-8-19(10-14(15,16)17)13(20)7-9-21-12-6-4-3-5-11(12)18/h3-6H,2,7-10,18H2,1H3
InChIKeyOQSDUMPMMPFUMT-UHFFFAOYSA-N
XLogP2.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892311
3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide
CID 61116679
3-(2-aminophenoxy)-N-methyl-N-(3-methylbutyl)propanamide
CID 61109535
3-(2-aminophenoxy)-N-(2-methoxyethyl)-N-prop-2-enylpropanamide
CID 103338330
3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 113425868
2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 61109635
3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 61115959
3-(2-aminophenoxy)-N-cyclopropyl-N-ethylpropanamide
CID 61095746
2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid
CID 61011692
2-(2-aminophenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 43587192
2,2,2-trifluoroethoxymethyl 3-(2-aminophenoxy)propanoate
CID 106705762
3-(2-aminophenoxy)propanamide
CID 39869131

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (CID 61107702) is 3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is CCCN(CC(F)(F)F)C(=O)CCOc1ccccc1N.
What is the InChIKey of 3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OQSDUMPMMPFUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-2-8-19(10-14(15,16)17)13(20)7-9-21-12-6-4-3-5-11(12)18/h3-6H,2,7-10,18H2,1H3.
What are the key properties of 3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 61107702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).