methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate

C13H19NO2 — CID 115232918

IUPACmethyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1ccc(C)c(C)c1C
InChIInChI=1S/C13H19NO2/c1-9-5-6-12(11(3)10(9)2)7-14-8-13(15)16-4/h5-6,14H,7-8H2,1-4H3
InChIKeyBDFMQDBZTWRDRV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.87
Rot. Bonds4

About methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate

methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate (PubChem CID 115232918) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
PubChem CID115232918
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1ccc(C)c(C)c1C
InChIInChI=1S/C13H19NO2/c1-9-5-6-12(11(3)10(9)2)7-14-8-13(15)16-4/h5-6,14H,7-8H2,1-4H3
InChIKeyBDFMQDBZTWRDRV-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,5-dimethylphenyl)methylamino]acetate
CID 60687577
methyl 2-[(2-ethylphenyl)methylamino]acetate
CID 62390681
5-[(2,3,4-trimethylphenyl)methylamino]pentan-2-one
CID 115236544
methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate
CID 115232862
methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
CID 115232994
[(2,3,4-trimethylphenyl)methylamino]methanethiol
CID 115228002
N'-[(2,3,4-trimethylphenyl)methyl]methanediamine
CID 115225803
methyl 2-(2-formyl-3,4-dimethylphenyl)acetate
CID 171024356
methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate
CID 43503462
methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate
CID 28567058
3-methyl-2-[[(2,3,4-trimethylphenyl)methylamino]methyl]butanoic acid
CID 115250349
methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
CID 115232874

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate?
The IUPAC name of methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate (CID 115232918) is methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate is COC(=O)CNCc1ccc(C)c(C)c1C.
What is the InChIKey of methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate?
The InChIKey is BDFMQDBZTWRDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-5-6-12(11(3)10(9)2)7-14-8-13(15)16-4/h5-6,14H,7-8H2,1-4H3.
What are the key properties of methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate?
methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate has a molecular weight of 221.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate is sourced from PubChem (CID 115232918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).