6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol

C12H19NO2 — CID 117299082

IUPAC6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol
SMILESCNCCc1cc(OC)c(O)c(C)c1C
InChIInChI=1S/C12H19NO2/c1-8-9(2)12(14)11(15-4)7-10(8)5-6-13-3/h7,13-14H,5-6H2,1-4H3
InChIKeyBVYHEAJVLUQNQV-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds4

About 6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol

6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol (PubChem CID 117299082) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol
PubChem CID117299082
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol
SMILESCNCCc1cc(OC)c(O)c(C)c1C
InChIInChI=1S/C12H19NO2/c1-8-9(2)12(14)11(15-4)7-10(8)5-6-13-3/h7,13-14H,5-6H2,1-4H3
InChIKeyBVYHEAJVLUQNQV-UHFFFAOYSA-N
XLogP1.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 117299085
2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117309032
2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile
CID 117282299
4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
CID 22439028
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
methyl 2-[4-hydroxy-5-methoxy-2-[2-(methylamino)ethyl]phenyl]acetate
CID 542068
3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117339653
4-amino-6-methoxy-2,3-dimethylphenol
CID 58463229
2-methoxy-3-methyl-6-[2-(methylamino)ethyl]phenol
CID 84666297
2-tert-butyl-4-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117347696
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol?
The IUPAC name of 6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol (CID 117299082) is 6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol is CNCCc1cc(OC)c(O)c(C)c1C.
What is the InChIKey of 6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol?
The InChIKey is BVYHEAJVLUQNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-9(2)12(14)11(15-4)7-10(8)5-6-13-3/h7,13-14H,5-6H2,1-4H3.
What are the key properties of 6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol?
6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 117299082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).