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

C12H19NO2 — CID 117299094

IUPAC3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol
SMILESCCc1ccc(OC)c(O)c1CCNC
InChIInChI=1S/C12H19NO2/c1-4-9-5-6-11(15-3)12(14)10(9)7-8-13-2/h5-6,13-14H,4,7-8H2,1-3H3
InChIKeyVSHIOGIFQHNSFY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds5

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

3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol (PubChem CID 117299094) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol
PubChem CID117299094
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol
SMILESCCc1ccc(OC)c(O)c1CCNC
InChIInChI=1S/C12H19NO2/c1-4-9-5-6-11(15-3)12(14)10(9)7-8-13-2/h5-6,13-14H,4,7-8H2,1-3H3
InChIKeyVSHIOGIFQHNSFY-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117319733
3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117318322
6-methoxy-3-methyl-2-propylphenol
CID 170766303
6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117339653
2-methoxy-3-methyl-6-[2-(methylamino)ethyl]phenol
CID 84666297
3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 84677805
6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol
CID 117299082
2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine
CID 84667682
4-methoxy-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 117299085
2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117309032
4-methoxy-3-[3-(methylamino)propyl]phenol
CID 84733265

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol?
The IUPAC name of 3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol (CID 117299094) is 3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol is CCc1ccc(OC)c(O)c1CCNC.
What is the InChIKey of 3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol?
The InChIKey is VSHIOGIFQHNSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-9-5-6-11(15-3)12(14)10(9)7-8-13-2/h5-6,13-14H,4,7-8H2,1-3H3.
What are the key properties of 3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol?
3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 117299094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).