2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide

C13H17F3N2O — CID 55034943

IUPAC2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCN(C)C(=O)C(CN)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-18(2)12(19)10(8-17)6-9-4-3-5-11(7-9)13(14,15)16/h3-5,7,10H,6,8,17H2,1-2H3
InChIKeyWGXGYYWFAYGKNI-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.91
Rot. Bonds4

About 2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide

2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 55034943) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID55034943
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCN(C)C(=O)C(CN)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-18(2)12(19)10(8-17)6-9-4-3-5-11(7-9)13(14,15)16/h3-5,7,10H,6,8,17H2,1-2H3
InChIKeyWGXGYYWFAYGKNI-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 66632722
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 154975964
6-amino-2-[[3-(trifluoromethyl)phenyl]methyl]hexanoic acid
CID 104681546
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
diethyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 53401794
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 111543235
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 154512800
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] acetate
CID 3024373
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide (CID 55034943) is 2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide is CN(C)C(=O)C(CN)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WGXGYYWFAYGKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-18(2)12(19)10(8-17)6-9-4-3-5-11(7-9)13(14,15)16/h3-5,7,10H,6,8,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide?
2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 274.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55034943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).