2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine

C12H18FNO2 — CID 117327131

IUPAC2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
SMILESCNCCc1c(COC)cc(F)cc1OC
InChIInChI=1S/C12H18FNO2/c1-14-5-4-11-9(8-15-2)6-10(13)7-12(11)16-3/h6-7,14H,4-5,8H2,1-3H3
InChIKeyAYPRADJQHPOXDE-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.74
Rot. Bonds6

About 2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine

2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine (PubChem CID 117327131) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
PubChem CID117327131
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
SMILESCNCCc1c(COC)cc(F)cc1OC
InChIInChI=1S/C12H18FNO2/c1-14-5-4-11-9(8-15-2)6-10(13)7-12(11)16-3/h6-7,14H,4-5,8H2,1-3H3
InChIKeyAYPRADJQHPOXDE-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
CID 117465307
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355423
1-[[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117353256
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359836
2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117309032
2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
CID 117437716
4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
CID 22439028
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
CID 117403574
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine
CID 84667682
3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117339653
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine (CID 117327131) is 2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine is CNCCc1c(COC)cc(F)cc1OC.
What is the InChIKey of 2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine?
The InChIKey is AYPRADJQHPOXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-14-5-4-11-9(8-15-2)6-10(13)7-12(11)16-3/h6-7,14H,4-5,8H2,1-3H3.
What are the key properties of 2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine?
2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine has a molecular weight of 227.28 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 117327131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).