methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate

C14H20ClNO3 — CID 78984035

IUPACmethyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-18-9-8-16(7-6-14(17)19-2)11-12-4-3-5-13(15)10-12/h3-5,10H,6-9,11H2,1-2H3
InChIKeyFSYZZBKXMRKOER-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.35
Rot. Bonds8

About methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate

methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate (PubChem CID 78984035) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
PubChem CID78984035
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Namemethyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-18-9-8-16(7-6-14(17)19-2)11-12-4-3-5-13(15)10-12/h3-5,10H,6-9,11H2,1-2H3
InChIKeyFSYZZBKXMRKOER-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1'-[(3-Chlorobenzyl)imino]di(2-propanol)
CID 2845811
Ethyl 1-(3-chlorobenzyl)piperidine-3-carboxylate
CID 2838527
4-(3-Chlorobenzyl)morpholine
CID 782662
2-[(3-Chlorobenzyl)(propyl)amino]ethanol
CID 783033
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 51072609
2-[(3-Chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 46934122
Methyl 3-[2-(2-chlorophenyl)pyrrolidin-1-yl]propanoate
CID 72153769
N-((4-Chlorophenyl)methyl)glycine ethyl ester
CID 5212684
Methyl [(2-chlorobenzyl)amino]acetate
CID 15280940
Methyl 2-{[(3-chlorophenyl)methyl]amino}acetate hydrochloride
CID 170913859
ethyl N-(3,4-dichlorobenzyl)-N-methylglycinate
CID 782393
(beta-Ethoxycarbonylethyl)-methoxycarbonylmethylbenzylamine
CID 2202859

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate (CID 78984035) is methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)Cc1cccc(Cl)c1.
What is the InChIKey of methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate?
The InChIKey is FSYZZBKXMRKOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-18-9-8-16(7-6-14(17)19-2)11-12-4-3-5-13(15)10-12/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate?
methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate has a molecular weight of 285.77 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78984035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).