2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol

C10H13F2NO2 — CID 117309032

IUPAC2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
SMILESCNCCc1cc(OC)c(F)c(O)c1F
InChIInChI=1S/C10H13F2NO2/c1-13-4-3-6-5-7(15-2)9(12)10(14)8(6)11/h5,13-14H,3-4H2,1-2H3
InChIKeyGIOMOOQVMUAPTB-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.44
Rot. Bonds4

About 2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol

2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol (PubChem CID 117309032) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is 2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
PubChem CID117309032
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
SMILESCNCCc1cc(OC)c(F)c(O)c1F
InChIInChI=1S/C10H13F2NO2/c1-13-4-3-6-5-7(15-2)9(12)10(14)8(6)11/h5,13-14H,3-4H2,1-2H3
InChIKeyGIOMOOQVMUAPTB-UHFFFAOYSA-N
XLogP1.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluoro-3-hydroxy-5-methoxyphenyl)propanoic acid
CID 117335780
2-(2,4-difluoro-3-hydroxy-5-methoxyphenyl)acetonitrile
CID 117288174
6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol
CID 117299082
4-methoxy-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 117299085
4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
CID 22439028
3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117339653
2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol
CID 83900216
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
4-fluoro-2-methyl-6-[2-(methylamino)ethyl]phenol
CID 83876237
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-fluoro-2-methoxy-6-[2-(methylamino)ethyl]phenol
CID 84668839

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol?
The IUPAC name of 2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol (CID 117309032) is 2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol is CNCCc1cc(OC)c(F)c(O)c1F.
What is the InChIKey of 2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol?
The InChIKey is GIOMOOQVMUAPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-13-4-3-6-5-7(15-2)9(12)10(14)8(6)11/h5,13-14H,3-4H2,1-2H3.
What are the key properties of 2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol?
2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol has a molecular weight of 217.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 117309032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).