methyl 3-[4-(dimethylamino)phenyl]propanoate

C12H17NO2 — CID 10465618

IUPACmethyl 3-[4-(dimethylamino)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C12H17NO2/c1-13(2)11-7-4-10(5-8-11)6-9-12(14)15-3/h4-5,7-8H,6,9H2,1-3H3
InChIKeyHVYROIVYQCOYBI-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.86
Rot. Bonds4

About methyl 3-[4-(dimethylamino)phenyl]propanoate

methyl 3-[4-(dimethylamino)phenyl]propanoate (PubChem CID 10465618) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 3-[4-(dimethylamino)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(dimethylamino)phenyl]propanoate
PubChem CID10465618
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 3-[4-(dimethylamino)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C12H17NO2/c1-13(2)11-7-4-10(5-8-11)6-9-12(14)15-3/h4-5,7-8H,6,9H2,1-3H3
InChIKeyHVYROIVYQCOYBI-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(dimethylamino)phenyl]propanoate?
The IUPAC name of methyl 3-[4-(dimethylamino)phenyl]propanoate (CID 10465618) is methyl 3-[4-(dimethylamino)phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-(dimethylamino)phenyl]propanoate?
The canonical SMILES for methyl 3-[4-(dimethylamino)phenyl]propanoate is COC(=O)CCc1ccc(N(C)C)cc1.
What is the InChIKey of methyl 3-[4-(dimethylamino)phenyl]propanoate?
The InChIKey is HVYROIVYQCOYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13(2)11-7-4-10(5-8-11)6-9-12(14)15-3/h4-5,7-8H,6,9H2,1-3H3.
What are the key properties of methyl 3-[4-(dimethylamino)phenyl]propanoate?
methyl 3-[4-(dimethylamino)phenyl]propanoate has a molecular weight of 207.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(dimethylamino)phenyl]propanoate is sourced from PubChem (CID 10465618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).