methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate

C13H20N2O2 — CID 118284140

IUPACmethyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate
SMILESCCNC(CC(=O)OC)c1ccc(N)cc1C
InChIInChI=1S/C13H20N2O2/c1-4-15-12(8-13(16)17-3)11-6-5-10(14)7-9(11)2/h5-7,12,15H,4,8,14H2,1-3H3
InChIKeyQZFWRJYNRFXDJX-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.79
Rot. Bonds5

About methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate

methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate (PubChem CID 118284140) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate
PubChem CID118284140
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate
SMILESCCNC(CC(=O)OC)c1ccc(N)cc1C
InChIInChI=1S/C13H20N2O2/c1-4-15-12(8-13(16)17-3)11-6-5-10(14)7-9(11)2/h5-7,12,15H,4,8,14H2,1-3H3
InChIKeyQZFWRJYNRFXDJX-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate
CID 65234652
ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
CID 65233713
methyl 3-(5-amino-2-methylphenyl)butanoate
CID 84675386
ethyl 3-(2,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235879
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
CID 7256494
ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate
CID 65233825
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate
CID 104823947
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
methyl 3-(4-amino-2-methylphenyl)propanoate
CID 54187007
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate?
The IUPAC name of methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate (CID 118284140) is methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate.
What is the SMILES notation for methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate?
The canonical SMILES for methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate is CCNC(CC(=O)OC)c1ccc(N)cc1C.
What is the InChIKey of methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate?
The InChIKey is QZFWRJYNRFXDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15-12(8-13(16)17-3)11-6-5-10(14)7-9(11)2/h5-7,12,15H,4,8,14H2,1-3H3.
What are the key properties of methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate?
methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate has a molecular weight of 236.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate is sourced from PubChem (CID 118284140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).