2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate

C19H21Cl2NO3 — CID 57141444

IUPAC2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate
SMILESCN(C)CCOC(=O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2NO3/c1-22(2)11-12-24-18(23)13-25-19(14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10,19H,11-13H2,1-2H3
InChIKeyPQDUYYOCKRGOOJ-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.20
Rot. Bonds8

About 2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate

2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate (PubChem CID 57141444) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate
PubChem CID57141444
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate
SMILESCN(C)CCOC(=O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2NO3/c1-22(2)11-12-24-18(23)13-25-19(14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10,19H,11-13H2,1-2H3
InChIKeyPQDUYYOCKRGOOJ-UHFFFAOYSA-N
XLogP4.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
ethyl 2-[bis[4-(dimethylamino)phenyl]methoxy]acetate
CID 131712796
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid
CID 68630018
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-[2-chloroethyl(methyl)amino]ethyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate
CID 91435889
2-[(4-chlorophenyl)methyl-methylamino]ethyl 3-oxobutanoate
CID 12529177
2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide
CID 116848886
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
2-benzhydryloxyacetic acid;N,N-dimethylethanamine
CID 173349968

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate (CID 57141444) is 2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate is CN(C)CCOC(=O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate?
The InChIKey is PQDUYYOCKRGOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-22(2)11-12-24-18(23)13-25-19(14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10,19H,11-13H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate?
2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate has a molecular weight of 382.29 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate is sourced from PubChem (CID 57141444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).