2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine

C11H16FNO — CID 84667682

IUPAC2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine
SMILESCNCCc1c(F)ccc(OC)c1C
InChIInChI=1S/C11H16FNO/c1-8-9(6-7-13-2)10(12)4-5-11(8)14-3/h4-5,13H,6-7H2,1-3H3
InChIKeyBMLJSBAHUWVAAL-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.90
Rot. Bonds4

About 2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine

2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine (PubChem CID 84667682) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine
PubChem CID84667682
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine
SMILESCNCCc1c(F)ccc(OC)c1C
InChIInChI=1S/C11H16FNO/c1-8-9(6-7-13-2)10(12)4-5-11(8)14-3/h4-5,13H,6-7H2,1-3H3
InChIKeyBMLJSBAHUWVAAL-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-6-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 83902100
6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659094
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117339653
2-(2-methoxy-6-propan-2-yloxyphenyl)-N-methylethanamine
CID 117320466
2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine
CID 117407280
2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
CID 117327131
3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117299094
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
CID 84669164
2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine (CID 84667682) is 2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine is CNCCc1c(F)ccc(OC)c1C.
What is the InChIKey of 2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine?
The InChIKey is BMLJSBAHUWVAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-9(6-7-13-2)10(12)4-5-11(8)14-3/h4-5,13H,6-7H2,1-3H3.
What are the key properties of 2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine?
2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine has a molecular weight of 197.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 84667682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).