methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate

C15H23NO2 — CID 79414965

IUPACmethyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
SMILESCOC(=O)C(C)C(C)N(C)CCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-12(15(17)18-4)13(2)16(3)11-10-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
InChIKeyASVOFNJZJPPKIP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.36
Rot. Bonds6

About methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate

methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate (PubChem CID 79414965) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
PubChem CID79414965
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namemethyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
SMILESCOC(=O)C(C)C(C)N(C)CCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-12(15(17)18-4)13(2)16(3)11-10-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
InChIKeyASVOFNJZJPPKIP-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
3-[methyl(2-phenylethyl)amino]butan-2-ol
CID 65485936
ethyl 3-[benzyl(methyl)amino]-2-methylbutanoate
CID 162687102
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
(2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate
CID 57296418
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65486259
methyl 3-[(4-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406233
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
methyl 3-[(2-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406108
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387
methyl 2-[benzyl(methyl)amino]-3-methylpentanoate
CID 146455513

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate (CID 79414965) is methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate is COC(=O)C(C)C(C)N(C)CCc1ccccc1.
What is the InChIKey of methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate?
The InChIKey is ASVOFNJZJPPKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(15(17)18-4)13(2)16(3)11-10-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate?
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate has a molecular weight of 249.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate is sourced from PubChem (CID 79414965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).