methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate

C14H21NO2 — CID 43139725

IUPACmethyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-10-5-6-13(11(2)9-10)12(3)15-8-7-14(16)17-4/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyIGWJXGYBHWUUEV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds5

About methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate

methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate (PubChem CID 43139725) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate
PubChem CID43139725
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-10-5-6-13(11(2)9-10)12(3)15-8-7-14(16)17-4/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyIGWJXGYBHWUUEV-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

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Related Compounds

1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
methyl 3-[1-(4-methylphenyl)ethylamino]propanoate
CID 43139755
methyl 4-[1-(2-hydroxy-5-methylphenyl)ethylamino]butanoate
CID 60782435
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate
CID 116955511
N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634705
3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
CID 43398362
1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720774
1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780969
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
CID 7256494
methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate
CID 43689048

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate?
The IUPAC name of methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate (CID 43139725) is methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate.
What is the SMILES notation for methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate?
The canonical SMILES for methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate is COC(=O)CCNC(C)c1ccc(C)cc1C.
What is the InChIKey of methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate?
The InChIKey is IGWJXGYBHWUUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-5-6-13(11(2)9-10)12(3)15-8-7-14(16)17-4/h5-6,9,12,15H,7-8H2,1-4H3.
What are the key properties of methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate?
methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate 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 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate is sourced from PubChem (CID 43139725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).