methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate

C14H20ClNO3 — CID 62027354

IUPACmethyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
SMILESCCN(CCOc1ccc(Cl)cc1)CCC(=O)OC
InChIInChI=1S/C14H20ClNO3/c1-3-16(9-8-14(17)18-2)10-11-19-13-6-4-12(15)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyBIOSYRWEJUVLDX-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.60
Rot. Bonds8

About methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate

methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate (PubChem CID 62027354) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
PubChem CID62027354
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Namemethyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
SMILESCCN(CCOc1ccc(Cl)cc1)CCC(=O)OC
InChIInChI=1S/C14H20ClNO3/c1-3-16(9-8-14(17)18-2)10-11-19-13-6-4-12(15)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyBIOSYRWEJUVLDX-UHFFFAOYSA-N
XLogP2.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate
CID 78958910
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
methyl 3-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
CID 3054668
[4-[(E)-2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]prop-1-enyl]phenyl] butanoate
CID 155808930
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
CID 115666232
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
CID 60654331
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
methyl 2-[3-(4-chlorophenoxy)propyl-methylamino]acetate
CID 60670349
[4-[2-(diethylamino)ethoxy]phenyl] propanoate
CID 90991611
4-(4-chlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenoxy]but-3-en-2-one
CID 54410104
methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate
CID 62027371

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate?
The IUPAC name of methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate (CID 62027354) is methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate?
The canonical SMILES for methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate is CCN(CCOc1ccc(Cl)cc1)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate?
The InChIKey is BIOSYRWEJUVLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-3-16(9-8-14(17)18-2)10-11-19-13-6-4-12(15)5-7-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate?
methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate has a molecular weight of 285.77 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate is sourced from PubChem (CID 62027354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).