N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

C13H17F3N2O2 — CID 103205359

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(Cc1cccc(CN)c1)C(=O)COCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-18(12(19)8-20-9-13(14,15)16)7-11-4-2-3-10(5-11)6-17/h2-5H,6-9,17H2,1H3
InChIKeyBTMIOQIOONWPSK-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.68
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103205359) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103205359
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(Cc1cccc(CN)c1)C(=O)COCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-18(12(19)8-20-9-13(14,15)16)7-11-4-2-3-10(5-11)6-17/h2-5H,6-9,17H2,1H3
InChIKeyBTMIOQIOONWPSK-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205414
N-[(3-aminophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205532
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
CID 43248665
N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
CID 43248602
N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide
CID 43248613
N-[[3-(aminomethyl)phenyl]methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80743611
N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide
CID 103017302
N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 43248598
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide
CID 61278778
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119345484
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103205359) is N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is CN(Cc1cccc(CN)c1)C(=O)COCC(F)(F)F.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is BTMIOQIOONWPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-18(12(19)8-20-9-13(14,15)16)7-11-4-2-3-10(5-11)6-17/h2-5H,6-9,17H2,1H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103205359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).