2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine

C12H18FNO2 — CID 115258985

IUPAC2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCOCN(C)CCc1cc(F)ccc1OC
InChIInChI=1S/C12H18FNO2/c1-14(9-15-2)7-6-10-8-11(13)4-5-12(10)16-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyQZZYOOVWNCJUQF-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.91
Rot. Bonds6

About 2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine

2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine (PubChem CID 115258985) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
PubChem CID115258985
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCOCN(C)CCc1cc(F)ccc1OC
InChIInChI=1S/C12H18FNO2/c1-14(9-15-2)7-6-10-8-11(13)4-5-12(10)16-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyQZZYOOVWNCJUQF-UHFFFAOYSA-N
XLogP1.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-methylhydrazine
CID 82282134
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112518374
3-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanenitrile
CID 115231191
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129680
2-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251726
1-[[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242579
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224056
N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 115258978
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042003
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine (CID 115258985) is 2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine is COCN(C)CCc1cc(F)ccc1OC.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine?
The InChIKey is QZZYOOVWNCJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-14(9-15-2)7-6-10-8-11(13)4-5-12(10)16-3/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine?
2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine has a molecular weight of 227.28 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine is sourced from PubChem (CID 115258985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).