methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate

C14H20ClNO2 — CID 62978673

IUPACmethyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate
SMILESCOC(=O)CC(C)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-10(9-14(17)18-4)16(3)11(2)12-7-5-6-8-13(12)15/h5-8,10-11H,9H2,1-4H3
InChIKeyJQTKCOFMYKKSNG-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.28
Rot. Bonds5

About methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate

methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate (PubChem CID 62978673) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate
PubChem CID62978673
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate
SMILESCOC(=O)CC(C)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-10(9-14(17)18-4)16(3)11(2)12-7-5-6-8-13(12)15/h5-8,10-11H,9H2,1-4H3
InChIKeyJQTKCOFMYKKSNG-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-chlorophenyl)ethyl-methylamino]butanethioamide
CID 62980396
2-N-[1-(2-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 63502805
4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide
CID 66427548
methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate
CID 51114947
ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate
CID 82770188
methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate
CID 45204448
methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770432
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
methyl 3-(2-chlorophenyl)-3-[1-(3,4,5-trimethoxyphenyl)ethylcarbamoylamino]propanoate
CID 55743646
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate?
The IUPAC name of methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate (CID 62978673) is methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate.
What is the SMILES notation for methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate?
The canonical SMILES for methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate is COC(=O)CC(C)N(C)C(C)c1ccccc1Cl.
What is the InChIKey of methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate?
The InChIKey is JQTKCOFMYKKSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(9-14(17)18-4)16(3)11(2)12-7-5-6-8-13(12)15/h5-8,10-11H,9H2,1-4H3.
What are the key properties of methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate?
methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate has a molecular weight of 269.77 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate is sourced from PubChem (CID 62978673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).