methyl 3-[1-(4-methylphenyl)ethylamino]propanoate

C13H19NO2 — CID 43139755

IUPACmethyl 3-[1-(4-methylphenyl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-10-4-6-12(7-5-10)11(2)14-9-8-13(15)16-3/h4-7,11,14H,8-9H2,1-3H3
InChIKeyLPKZMTTZTGGFQB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.21
Rot. Bonds5

About methyl 3-[1-(4-methylphenyl)ethylamino]propanoate

methyl 3-[1-(4-methylphenyl)ethylamino]propanoate (PubChem CID 43139755) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 3-[1-(4-methylphenyl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(4-methylphenyl)ethylamino]propanoate
PubChem CID43139755
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 3-[1-(4-methylphenyl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-10-4-6-12(7-5-10)11(2)14-9-8-13(15)16-3/h4-7,11,14H,8-9H2,1-3H3
InChIKeyLPKZMTTZTGGFQB-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81355699
3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 55098195
methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate
CID 43139725
N-ethyl-3-[1-(4-methylphenyl)ethylamino]propanamide
CID 62325873
methyl 4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butanoate
CID 81355093
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
ethyl 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanoate
CID 81352239
ethyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]propanoate
CID 81348224
methyl 3-[1-(3-chloro-4-fluorophenyl)ethylamino]propanoate
CID 43139693
N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 28684626
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
methyl 3-[1-(4-methylphenyl)ethylamino]butanoate
CID 54963886

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(4-methylphenyl)ethylamino]propanoate?
The IUPAC name of methyl 3-[1-(4-methylphenyl)ethylamino]propanoate (CID 43139755) is methyl 3-[1-(4-methylphenyl)ethylamino]propanoate.
What is the SMILES notation for methyl 3-[1-(4-methylphenyl)ethylamino]propanoate?
The canonical SMILES for methyl 3-[1-(4-methylphenyl)ethylamino]propanoate is COC(=O)CCNC(C)c1ccc(C)cc1.
What is the InChIKey of methyl 3-[1-(4-methylphenyl)ethylamino]propanoate?
The InChIKey is LPKZMTTZTGGFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-4-6-12(7-5-10)11(2)14-9-8-13(15)16-3/h4-7,11,14H,8-9H2,1-3H3.
What are the key properties of methyl 3-[1-(4-methylphenyl)ethylamino]propanoate?
methyl 3-[1-(4-methylphenyl)ethylamino]propanoate has a molecular weight of 221.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(4-methylphenyl)ethylamino]propanoate is sourced from PubChem (CID 43139755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).