methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate

C13H19NO2 — CID 64567687

IUPACmethyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
SMILESCCN(C)CC(C(=O)OC)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-14(2)10-12(13(15)16-3)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3
InChIKeyUIUUIMPNANXPGW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.89
Rot. Bonds5

About methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate

methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate (PubChem CID 64567687) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
PubChem CID64567687
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
SMILESCCN(C)CC(C(=O)OC)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-14(2)10-12(13(15)16-3)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3
InChIKeyUIUUIMPNANXPGW-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-phenylpropanoate
CID 79652279
methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
CID 64566456
methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
CID 64567717
methyl 3-[bis(2-amino-2-oxoethyl)amino]-2-phenylpropanoate
CID 64567726
methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate
CID 64565444
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoate
CID 79114920
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl 2-phenylheptanoate
CID 143443478
methyl 3-[(2-amino-1-cyclopropylethyl)-methylamino]-2-phenylpropanoate
CID 116653047
methyl 3-methylsulfinyl-2-phenylpropanoate
CID 64559431
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate (CID 64567687) is methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate is CCN(C)CC(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate?
The InChIKey is UIUUIMPNANXPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-14(2)10-12(13(15)16-3)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3.
What are the key properties of methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate?
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate has a molecular weight of 221.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate is sourced from PubChem (CID 64567687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).