methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate

C13H19NO2 — CID 60670382

IUPACmethyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C13H19NO2/c1-10-5-11(2)7-12(6-10)8-14(3)9-13(15)16-4/h5-7H,8-9H2,1-4H3
InChIKeyFKIPNPWSGCHWDV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.91
Rot. Bonds4

About methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate

methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate (PubChem CID 60670382) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate
PubChem CID60670382
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C13H19NO2/c1-10-5-11(2)7-12(6-10)8-14(3)9-13(15)16-4/h5-7H,8-9H2,1-4H3
InChIKeyFKIPNPWSGCHWDV-UHFFFAOYSA-N
XLogP1.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
methyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]benzoate
CID 55025135
methyl 2-[(3-methoxy-5-nitrophenyl)methyl-methylamino]acetate
CID 81166044
methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate
CID 61067990
methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
CID 115232995
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
CID 115232994
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
methyl 2-[(3,5-dimethylphenyl)methylamino]acetate
CID 60687760

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate (CID 60670382) is methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1cc(C)cc(C)c1.
What is the InChIKey of methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate?
The InChIKey is FKIPNPWSGCHWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-5-11(2)7-12(6-10)8-14(3)9-13(15)16-4/h5-7H,8-9H2,1-4H3.
What are the key properties of methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate?
methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate has a molecular weight of 221.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate is sourced from PubChem (CID 60670382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).