methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate

C13H19NO4 — CID 542068

IUPACmethyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate
SMILESCNCCc1cc(O)c(OC)cc1CC(=O)OC
InChIInChI=1S/C13H19NO4/c1-14-5-4-9-6-11(15)12(17-2)7-10(9)8-13(16)18-3/h6-7,14-15H,4-5,8H2,1-3H3
InChIKeyJFHSPZHAAZRUEN-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.88
Rot. Bonds6

About methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate

methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate (PubChem CID 542068) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate
PubChem CID542068
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate
SMILESCNCCc1cc(O)c(OC)cc1CC(=O)OC
InChIInChI=1S/C13H19NO4/c1-14-5-4-9-6-11(15)12(17-2)7-10(9)8-13(16)18-3/h6-7,14-15H,4-5,8H2,1-3H3
InChIKeyJFHSPZHAAZRUEN-UHFFFAOYSA-N
XLogP0.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(4-hydroxybutyl)-4,5-dimethoxyphenyl]acetate
CID 175431518
4-methoxy-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 117299085
6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol
CID 117299082
2-tert-butyl-4-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117347696
2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117309032
methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 12862928
4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
CID 22439028
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
2-methoxy-5-methyl-4-(methylaminomethyl)phenol
CID 105422769
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
methyl 2-[2-(chloromethyl)-5-methoxy-4-methylphenyl]acetate
CID 171022993

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate (CID 542068) is methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate is CNCCc1cc(O)c(OC)cc1CC(=O)OC.
What is the InChIKey of methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate?
The InChIKey is JFHSPZHAAZRUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14-5-4-9-6-11(15)12(17-2)7-10(9)8-13(16)18-3/h6-7,14-15H,4-5,8H2,1-3H3.
What are the key properties of methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate?
methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate has a molecular weight of 253.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate is sourced from PubChem (CID 542068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).