ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate

C15H22ClNO2 — CID 155930732

IUPACethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate
SMILESCCCN(CC)C(C(=O)OCC)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2/c1-4-11-17(5-2)14(15(18)19-6-3)12-7-9-13(16)10-8-12/h7-10,14H,4-6,11H2,1-3H3
InChIKeyQYXRXOYEPWPFRX-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.68
Rot. Bonds7

About ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate

ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate (PubChem CID 155930732) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate
PubChem CID155930732
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Nameethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate
SMILESCCCN(CC)C(C(=O)OCC)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2/c1-4-11-17(5-2)14(15(18)19-6-3)12-7-9-13(16)10-8-12/h7-10,14H,4-6,11H2,1-3H3
InChIKeyQYXRXOYEPWPFRX-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate (CID 155930732) is ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate is CCCN(CC)C(C(=O)OCC)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate?
The InChIKey is QYXRXOYEPWPFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-11-17(5-2)14(15(18)19-6-3)12-7-9-13(16)10-8-12/h7-10,14H,4-6,11H2,1-3H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate?
ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate has a molecular weight of 283.80 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate is sourced from PubChem (CID 155930732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).