methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate

C14H20ClNO3 — CID 62011529

IUPACmethyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate
SMILESCOC(=O)CCCN(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-16(8-4-7-14(17)18-2)9-10-19-13-6-3-5-12(15)11-13/h3,5-6,11H,4,7-10H2,1-2H3
InChIKeyXYIYMTNLNMUTGK-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.60
Rot. Bonds8

About methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate

methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate (PubChem CID 62011529) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate
PubChem CID62011529
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Namemethyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate
SMILESCOC(=O)CCCN(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-16(8-4-7-14(17)18-2)9-10-19-13-6-3-5-12(15)11-13/h3,5-6,11H,4,7-10H2,1-2H3
InChIKeyXYIYMTNLNMUTGK-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

Analyze methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
methyl 4-[2-(3-bromophenoxy)ethyl-methylamino]butanoate
CID 62012123
4-[3-(3-chlorophenoxy)propyl-methylamino]butanoic acid
CID 119134826
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669
methyl 5-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]furan-2-carboxylate
CID 55431674
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
methyl 4-[3-[(2,4-dichlorophenyl)methoxy]phenoxy]butanoate
CID 123685242
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
CID 60654331
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
3-(3-chlorophenoxy)propanamide
CID 23512799

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate?
The IUPAC name of methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate (CID 62011529) is methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate.
What is the SMILES notation for methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate?
The canonical SMILES for methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate is COC(=O)CCCN(C)CCOc1cccc(Cl)c1.
What is the InChIKey of methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate?
The InChIKey is XYIYMTNLNMUTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-16(8-4-7-14(17)18-2)9-10-19-13-6-3-5-12(15)11-13/h3,5-6,11H,4,7-10H2,1-2H3.
What are the key properties of methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate?
methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate 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 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate is sourced from PubChem (CID 62011529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).