methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate

C14H21NO3 — CID 66244071

IUPACmethyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-10(14(16)18-4)9-15-11(2)12-5-7-13(17-3)8-6-12/h5-8,10-11,15H,9H2,1-4H3
InChIKeyPDFKKSCRENBNNL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.15
Rot. Bonds6

About methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate

methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate (PubChem CID 66244071) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate
PubChem CID66244071
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-10(14(16)18-4)9-15-11(2)12-5-7-13(17-3)8-6-12/h5-8,10-11,15H,9H2,1-4H3
InChIKeyPDFKKSCRENBNNL-UHFFFAOYSA-N
XLogP2.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-methylpropanoate
CID 81351963
methyl 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-methylpropanoate
CID 81354159
methyl 3-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-methylpropanoate
CID 81359899
2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 106170555
methyl 2-methyl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoate
CID 81410031
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774
1-(4-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347393

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate (CID 66244071) is methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate is COC(=O)C(C)CNC(C)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate?
The InChIKey is PDFKKSCRENBNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(14(16)18-4)9-15-11(2)12-5-7-13(17-3)8-6-12/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate?
methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate has a molecular weight of 251.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate is sourced from PubChem (CID 66244071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).