methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate

C14H21NO2 — CID 116955511

IUPACmethyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate
SMILESCNC(CCC(=O)OC)c1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-10-5-6-12(11(2)9-10)13(15-3)7-8-14(16)17-4/h5-6,9,13,15H,7-8H2,1-4H3
InChIKeyXPCQZKPVMFNPLS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds5

About methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate

methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate (PubChem CID 116955511) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate
PubChem CID116955511
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate
SMILESCNC(CCC(=O)OC)c1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-10-5-6-12(11(2)9-10)13(15-3)7-8-14(16)17-4/h5-6,9,13,15H,7-8H2,1-4H3
InChIKeyXPCQZKPVMFNPLS-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate 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 4-(methylamino)-4-(3-methylphenyl)butanoate
CID 116955565
methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate
CID 43139725
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
methyl 4-(2,4-dimethylphenyl)-4-hydroxy-3-(methylamino)butanoate
CID 82349770
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
CID 7256494
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
ethyl 2-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]sulfanylacetate
CID 64614375
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 103149424
methyl 4-amino-4-(4-tert-butyl-2-methylphenyl)butanoate
CID 116940218
2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780822
methyl 4-(methylamino)-5-oxo-5-(2,4,6-trimethylphenyl)pentanoate
CID 82348948

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate?
The IUPAC name of methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate (CID 116955511) is methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate?
The canonical SMILES for methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate is CNC(CCC(=O)OC)c1ccc(C)cc1C.
What is the InChIKey of methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate?
The InChIKey is XPCQZKPVMFNPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-5-6-12(11(2)9-10)13(15-3)7-8-14(16)17-4/h5-6,9,13,15H,7-8H2,1-4H3.
What are the key properties of methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate?
methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate has a molecular weight of 235.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate is sourced from PubChem (CID 116955511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).