2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine

C11H16FNO2 — CID 83835350

IUPAC2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine
SMILESCNCC(OC)c1ccc(OC)cc1F
InChIInChI=1S/C11H16FNO2/c1-13-7-11(15-3)9-5-4-8(14-2)6-10(9)12/h4-6,11,13H,7H2,1-3H3
InChIKeyGBMIKNWAMBKJKN-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.74
Rot. Bonds5

About 2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine

2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine (PubChem CID 83835350) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine
PubChem CID83835350
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine
SMILESCNCC(OC)c1ccc(OC)cc1F
InChIInChI=1S/C11H16FNO2/c1-13-7-11(15-3)9-5-4-8(14-2)6-10(9)12/h4-6,11,13H,7H2,1-3H3
InChIKeyGBMIKNWAMBKJKN-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-2-methoxy-N-methylethanamine
CID 53276205
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
2-fluoro-2-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 105426266
1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 43561378
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
1-(2-fluoro-4-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 81305455
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine (CID 83835350) is 2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine is CNCC(OC)c1ccc(OC)cc1F.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine?
The InChIKey is GBMIKNWAMBKJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-13-7-11(15-3)9-5-4-8(14-2)6-10(9)12/h4-6,11,13H,7H2,1-3H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine?
2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine has a molecular weight of 213.25 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 83835350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).