methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate

C15H23NO2 — CID 116955599

IUPACmethyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate
SMILESCNC(c1ccc(C)c(C)c1)C(C)(C)C(=O)OC
InChIInChI=1S/C15H23NO2/c1-10-7-8-12(9-11(10)2)13(16-5)15(3,4)14(17)18-6/h7-9,13,16H,1-6H3
InChIKeyGOLSCFPXVWRHHB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.76
Rot. Bonds4

About methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate

methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate (PubChem CID 116955599) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate
PubChem CID116955599
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namemethyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate
SMILESCNC(c1ccc(C)c(C)c1)C(C)(C)C(=O)OC
InChIInChI=1S/C15H23NO2/c1-10-7-8-12(9-11(10)2)13(16-5)15(3,4)14(17)18-6/h7-9,13,16H,1-6H3
InChIKeyGOLSCFPXVWRHHB-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-amino-3-(4-methoxy-3-methylphenyl)-2,2-dimethylpropanoate
CID 171244192
methyl 2-chloro-2-(3,4-dimethylphenyl)acetate
CID 62224922
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987
1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 79069534
methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate
CID 62934522
2-(3,4-dimethylphenyl)-2-methoxyacetic acid
CID 83224323
methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate
CID 116940265
3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid
CID 116953214
3-(3,4-dimethylphenyl)-3-(methylamino)propanoic acid
CID 65236773
methyl (2S)-2-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpentanoate
CID 97027222
2-amino-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 116850370
1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854463

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate?
The IUPAC name of methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate (CID 116955599) is methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate?
The canonical SMILES for methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate is CNC(c1ccc(C)c(C)c1)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate?
The InChIKey is GOLSCFPXVWRHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-7-8-12(9-11(10)2)13(16-5)15(3,4)14(17)18-6/h7-9,13,16H,1-6H3.
What are the key properties of methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate?
methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoate is sourced from PubChem (CID 116955599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).