ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate

C13H16F3NO2 — CID 60690805

IUPACethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
SMILESCCOC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-3-19-12(18)9-17(2)8-10-4-6-11(7-5-10)13(14,15)16/h4-7H,3,8-9H2,1-2H3
InChIKeyUSAMHAXKJRNMHZ-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.70
Rot. Bonds5

About ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate

ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate (PubChem CID 60690805) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
PubChem CID60690805
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Nameethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
SMILESCCOC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-3-19-12(18)9-17(2)8-10-4-6-11(7-5-10)13(14,15)16/h4-7H,3,8-9H2,1-2H3
InChIKeyUSAMHAXKJRNMHZ-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate
CID 132541057
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
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ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate
CID 91410981
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
ethyl 4-[methyl-[(4-methylphenyl)methyl]amino]-3-oxobutanoate
CID 63898313
ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate
CID 63380673
ethyl 6-[4-(trifluoromethyl)phenyl]hexanoate
CID 11737774
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate
CID 115257414
ethyl 4-[[N,N'-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]butanoate
CID 111299575
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate (CID 60690805) is ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate is CCOC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate?
The InChIKey is USAMHAXKJRNMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-19-12(18)9-17(2)8-10-4-6-11(7-5-10)13(14,15)16/h4-7H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate?
ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate has a molecular weight of 275.27 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate is sourced from PubChem (CID 60690805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).