1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine

C13H20FNO2 — CID 117355422

IUPAC1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
SMILESCOCc1c(F)ccc(CC(C)(C)N)c1OC
InChIInChI=1S/C13H20FNO2/c1-13(2,15)7-9-5-6-11(14)10(8-16-3)12(9)17-4/h5-6H,7-8,15H2,1-4H3
InChIKeyKDAJKKLJCZEYPF-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.26
Rot. Bonds5

About 1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine

1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine (PubChem CID 117355422) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
PubChem CID117355422
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
SMILESCOCc1c(F)ccc(CC(C)(C)N)c1OC
InChIInChI=1S/C13H20FNO2/c1-13(2,15)7-9-5-6-11(14)10(8-16-3)12(9)17-4/h5-6H,7-8,15H2,1-4H3
InChIKeyKDAJKKLJCZEYPF-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117330362
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
1-bromo-4-fluoro-2-methoxy-3-(methoxymethyl)benzene
CID 166159524
1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327192
1-(2,3-dimethoxy-4-methylsulfanylphenyl)-2-methylpropan-2-amine
CID 117391912
1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine
CID 117422077
1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117302099
1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine
CID 117424714
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386547
3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol
CID 117437685
1-(2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347553

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine (CID 117355422) is 1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine is COCc1c(F)ccc(CC(C)(C)N)c1OC.
What is the InChIKey of 1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
The InChIKey is KDAJKKLJCZEYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-13(2,15)7-9-5-6-11(14)10(8-16-3)12(9)17-4/h5-6H,7-8,15H2,1-4H3.
What are the key properties of 1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine?
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117355422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).