methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate

C13H20N2O2 — CID 43756855

IUPACmethyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
SMILESCOC(=O)CNC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-10(14-9-13(16)17-4)11-5-7-12(8-6-11)15(2)3/h5-8,10,14H,9H2,1-4H3
InChIKeyAFNIVUYGRCSSMY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.58
Rot. Bonds5

About methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate

methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate (PubChem CID 43756855) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
PubChem CID43756855
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
SMILESCOC(=O)CNC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-10(14-9-13(16)17-4)11-5-7-12(8-6-11)15(2)3/h5-8,10,14H,9H2,1-4H3
InChIKeyAFNIVUYGRCSSMY-UHFFFAOYSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate 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

ethyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
CID 54921228
N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline
CID 114449211
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683
ethyl 4-[1-[4-(dimethylamino)phenyl]ethylamino]butanoate
CID 64578318
N-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635758
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 27682246
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869
methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
CID 43200173
tert-butyl N-[3-[1-[4-(dimethylamino)phenyl]ethylamino]propyl]carbamate
CID 103781090
N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline
CID 43755380
3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107765
methyl 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetate
CID 43200789

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate?
The IUPAC name of methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate (CID 43756855) is methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate.
What is the SMILES notation for methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate?
The canonical SMILES for methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate is COC(=O)CNC(C)c1ccc(N(C)C)cc1.
What is the InChIKey of methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate?
The InChIKey is AFNIVUYGRCSSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(14-9-13(16)17-4)11-5-7-12(8-6-11)15(2)3/h5-8,10,14H,9H2,1-4H3.
What are the key properties of methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate?
methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate has a molecular weight of 236.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate is sourced from PubChem (CID 43756855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).