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

C14H18F3NO2 — CID 60965401

IUPACmethyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C14H18F3NO2/c1-10(2)18(9-13(19)20-3)8-11-4-6-12(7-5-11)14(15,16)17/h4-7,10H,8-9H2,1-3H3
InChIKeyKMIWEBQIXWMOSB-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.09
Rot. Bonds5

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

methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate (PubChem CID 60965401) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
PubChem CID60965401
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Namemethyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C14H18F3NO2/c1-10(2)18(9-13(19)20-3)8-11-4-6-12(7-5-11)14(15,16)17/h4-7,10H,8-9H2,1-3H3
InChIKeyKMIWEBQIXWMOSB-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 122157965
methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate
CID 83029917
methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate
CID 62956796
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
methyl 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetate
CID 23540454
methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]-propan-2-ylamino]acetate
CID 78878012
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-propan-2-ylamino]acetate
CID 102662967
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 70081456

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate (CID 60965401) is methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate is COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate?
The InChIKey is KMIWEBQIXWMOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-10(2)18(9-13(19)20-3)8-11-4-6-12(7-5-11)14(15,16)17/h4-7,10H,8-9H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate?
methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate has a molecular weight of 289.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate is sourced from PubChem (CID 60965401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).