ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate

C14H20ClNO3 — CID 103242496

IUPACethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNC(C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-3-19-14(17)10-18-8-7-16-11(2)12-5-4-6-13(15)9-12/h4-6,9,11,16H,3,7-8,10H2,1-2H3
InChIKeyAPBHPLCMDXAORN-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.57
Rot. Bonds8

About ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate

ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate (PubChem CID 103242496) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate
PubChem CID103242496
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nameethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNC(C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-3-19-14(17)10-18-8-7-16-11(2)12-5-4-6-13(15)9-12/h4-6,9,11,16H,3,7-8,10H2,1-2H3
InChIKeyAPBHPLCMDXAORN-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
CID 103243974
(1S)-1-(3-chlorophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179257
ethyl (E)-4-[[(1S)-1-(3-chlorophenyl)ethyl]amino]but-2-enoate
CID 81372508
ethyl (E)-4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]but-2-enoate
CID 81372247
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]butanoic acid
CID 81372584
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
CID 103245215
ethyl 3-[1-(3,4-dichlorophenyl)ethylamino]propanoate
CID 60647930
ethyl 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanoate
CID 81352239
N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide
CID 115894064

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate (CID 103242496) is ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate is CCOC(=O)COCCNC(C)c1cccc(Cl)c1.
What is the InChIKey of ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate?
The InChIKey is APBHPLCMDXAORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-3-19-14(17)10-18-8-7-16-11(2)12-5-4-6-13(15)9-12/h4-6,9,11,16H,3,7-8,10H2,1-2H3.
What are the key properties of ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate?
ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate has a molecular weight of 285.77 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate is sourced from PubChem (CID 103242496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).