N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

C13H17F3N2O2 — CID 103205532

IUPACN-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(Cc1cccc(N)c1)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-18(8-10-3-2-4-11(17)7-10)12(19)5-6-20-9-13(14,15)16/h2-4,7H,5-6,8-9,17H2,1H3
InChIKeyCSXJMTKBPMJDGA-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.20
Rot. Bonds6

About N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103205532) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103205532
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(Cc1cccc(N)c1)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-18(8-10-3-2-4-11(17)7-10)12(19)5-6-20-9-13(14,15)16/h2-4,7H,5-6,8-9,17H2,1H3
InChIKeyCSXJMTKBPMJDGA-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hexanamide, 6-trifluoroacetylamino-N-(3-methylphenyl)-
CID 572219
N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 15888277
N-((3-aminophenyl)methyl)-N-methylacetamide
CID 28819680
N-[(3-Aminophenyl)methyl]-N-ethylacetamide
CID 39869640
N-m-(trifluoromethyl)phenyl3-morpholinopropionamide
CID 2241038
3-ethoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2973171
N-[3-[2-(dipropylamino)ethyl]phenyl]-2,2,2-trifluoroacetamide
CID 14566726
1-[1-(3-Methoxypropanoyl)-3-piperidinyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45244204
N-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]propanamide
CID 53565377
2-(4-ethyl-3-oxomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2955032
N,N-Diethyl-N'-[3-(trifluoromethyl)phenyl]ethanediamide
CID 2196649
N-(3-propan-2-yloxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2172902

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103205532) is N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is CN(Cc1cccc(N)c1)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is CSXJMTKBPMJDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-18(8-10-3-2-4-11(17)7-10)12(19)5-6-20-9-13(14,15)16/h2-4,7H,5-6,8-9,17H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 290.29 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103205532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).