1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine

C13H20FNO2 — CID 79197559

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(OC)c(F)c1)C(C)(C)OC
InChIInChI=1S/C13H20FNO2/c1-13(2,17-5)12(15-3)9-6-7-11(16-4)10(14)8-9/h6-8,12,15H,1-5H3
InChIKeyOAGAKTRNHNUQMO-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.52
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine

1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine (PubChem CID 79197559) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
PubChem CID79197559
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccc(OC)c(F)c1)C(C)(C)OC
InChIInChI=1S/C13H20FNO2/c1-13(2,17-5)12(15-3)9-6-7-11(16-4)10(14)8-9/h6-8,12,15H,1-5H3
InChIKeyOAGAKTRNHNUQMO-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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,2-dimethyl-2-phenylpropan-1-amine
CID 43487653
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854343
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65132898
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 66436991
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909206
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
[2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105265555

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine (CID 79197559) is 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine is CNC(c1ccc(OC)c(F)c1)C(C)(C)OC.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The InChIKey is OAGAKTRNHNUQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-13(2,17-5)12(15-3)9-6-7-11(16-4)10(14)8-9/h6-8,12,15H,1-5H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine has a molecular weight of 241.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 79197559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).