methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate

C13H20N2O2 — CID 54880686

IUPACmethyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate
SMILESCNC(C)(C(=O)OC)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-13(14-2,12(16)17-5)10-6-8-11(9-7-10)15(3)4/h6-9,14H,1-5H3
InChIKeyIRUOYCRBBAVHPQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.36
Rot. Bonds4

About methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate

methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate (PubChem CID 54880686) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate
PubChem CID54880686
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate
SMILESCNC(C)(C(=O)OC)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-13(14-2,12(16)17-5)10-6-8-11(9-7-10)15(3)4/h6-9,14H,1-5H3
InChIKeyIRUOYCRBBAVHPQ-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[4-(dimethylamino)phenyl]-2-hydroxypropanedioate
CID 2750049
methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride
CID 75481381
2-[4-(dimethylamino)phenyl]-2-(propylamino)propanoic acid
CID 54880652
methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate
CID 60787718
methyl 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanoate
CID 61002598
2-[2-(dimethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]propanamide
CID 60995360
2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate
CID 20813215
ethyl 2-[4-(dimethylamino)phenyl]-2-(prop-2-ynylamino)propanoate
CID 62365825
2-anilino-2-[4-(dimethylamino)phenyl]propanamide
CID 61004832
dimethyl 2-[4-[ethyl(methyl)amino]phenyl]-2-hydroxypropanedioate
CID 595782
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54908415
2-[4-(dimethylamino)phenyl]-2-hydroxypropanamide
CID 62226788

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate?
The IUPAC name of methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate (CID 54880686) is methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate is CNC(C)(C(=O)OC)c1ccc(N(C)C)cc1.
What is the InChIKey of methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate?
The InChIKey is IRUOYCRBBAVHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(14-2,12(16)17-5)10-6-8-11(9-7-10)15(3)4/h6-9,14H,1-5H3.
What are the key properties of methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate?
methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate has a molecular weight of 236.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate is sourced from PubChem (CID 54880686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).