1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine

C13H20FNO2 — CID 112518379

IUPAC1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine
SMILESCNC(COC)c1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-9(2)17-13-6-5-10(7-11(13)14)12(15-3)8-16-4/h5-7,9,12,15H,8H2,1-4H3
InChIKeyPWYSGHPXBQWFNO-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.52
Rot. Bonds6

About 1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine

1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine (PubChem CID 112518379) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine
PubChem CID112518379
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine
SMILESCNC(COC)c1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-9(2)17-13-6-5-10(7-11(13)14)12(15-3)8-16-4/h5-7,9,12,15H,8H2,1-4H3
InChIKeyPWYSGHPXBQWFNO-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propane-1-thiol
CID 116831365
1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 55261480
1-(3-fluoro-4-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 114976941
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65127588
1-(4-ethoxy-3-methylphenyl)-2-methoxy-N-methylethanamine
CID 112517931
2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842301
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
CID 65236183
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105037077
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65132898
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine?
The IUPAC name of 1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine (CID 112518379) is 1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine is CNC(COC)c1ccc(OC(C)C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine?
The InChIKey is PWYSGHPXBQWFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(2)17-13-6-5-10(7-11(13)14)12(15-3)8-16-4/h5-7,9,12,15H,8H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine?
1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine has a molecular weight of 241.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-propan-2-yloxyphenyl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 112518379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).