ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate

C14H20ClNO2 — CID 62979536

IUPACethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
SMILESCCOC(=O)C(C)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-5-18-14(17)11(3)16(4)10(2)12-7-6-8-13(15)9-12/h6-11H,5H2,1-4H3
InChIKeyJTIBJSZUYUSORV-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.28
Rot. Bonds5

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

ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate (PubChem CID 62979536) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
PubChem CID62979536
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nameethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
SMILESCCOC(=O)C(C)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-5-18-14(17)11(3)16(4)10(2)12-7-6-8-13(15)9-12/h6-11H,5H2,1-4H3
InChIKeyJTIBJSZUYUSORV-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

ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
ethyl (3S)-3-amino-3-(3-chlorophenyl)-2-fluoropropanoate
CID 171246110
ethyl 2-[(3-chlorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 62396786
ethyl (3S)-3-amino-3-(3-chlorophenyl)-2-fluoropropanoate;hydrochloride
CID 171246111
4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide
CID 66428887
ethyl (2S)-2-(3-chlorophenyl)-2-cyanoacetate
CID 86312949
ethyl (2R)-2-(3-chlorophenyl)-2-cyanoacetate
CID 86309605
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254
2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226414
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate?
The IUPAC name of ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate (CID 62979536) is ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate.
What is the SMILES notation for ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate?
The canonical SMILES for ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate is CCOC(=O)C(C)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate?
The InChIKey is JTIBJSZUYUSORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-5-18-14(17)11(3)16(4)10(2)12-7-6-8-13(15)9-12/h6-11H,5H2,1-4H3.
What are the key properties of ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate?
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate 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 ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate is sourced from PubChem (CID 62979536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).