methyl 2-(dimethylamino)-2-phenylbutanoate

C13H19NO2 — CID 3016036

IUPACmethyl 2-(dimethylamino)-2-phenylbutanoate
SMILESCCC(C(=O)OC)(c1ccccc1)N(C)C
InChIInChI=1S/C13H19NO2/c1-5-13(14(2)3,12(15)16-4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3
InChIKeyFFMPNRLNKDYDJN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.03
Rot. Bonds4

About methyl 2-(dimethylamino)-2-phenylbutanoate

methyl 2-(dimethylamino)-2-phenylbutanoate (PubChem CID 3016036) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-phenylbutanoate
PubChem CID3016036
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 2-(dimethylamino)-2-phenylbutanoate
SMILESCCC(C(=O)OC)(c1ccccc1)N(C)C
InChIInChI=1S/C13H19NO2/c1-5-13(14(2)3,12(15)16-4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3
InChIKeyFFMPNRLNKDYDJN-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-2-phenylbutanoate?
The IUPAC name of methyl 2-(dimethylamino)-2-phenylbutanoate (CID 3016036) is methyl 2-(dimethylamino)-2-phenylbutanoate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-phenylbutanoate?
The canonical SMILES for methyl 2-(dimethylamino)-2-phenylbutanoate is CCC(C(=O)OC)(c1ccccc1)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-phenylbutanoate?
The InChIKey is FFMPNRLNKDYDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-13(14(2)3,12(15)16-4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3.
What are the key properties of methyl 2-(dimethylamino)-2-phenylbutanoate?
methyl 2-(dimethylamino)-2-phenylbutanoate has a molecular weight of 221.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2-phenylbutanoate is sourced from PubChem (CID 3016036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).