1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol

C12H18FNO3 — CID 117359840

IUPAC1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c(CF)cc1OC
InChIInChI=1S/C12H18FNO3/c1-14-7-10(15)9-5-11(16-2)8(6-13)4-12(9)17-3/h4-5,10,14-15H,6-7H2,1-3H3
InChIKeySBCFZYDTIMWPAY-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.43
Rot. Bonds6

About 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol

1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol (PubChem CID 117359840) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
PubChem CID117359840
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Name1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c(CF)cc1OC
InChIInChI=1S/C12H18FNO3/c1-14-7-10(15)9-5-11(16-2)8(6-13)4-12(9)17-3/h4-5,10,14-15H,6-7H2,1-3H3
InChIKeySBCFZYDTIMWPAY-UHFFFAOYSA-N
XLogP1.43
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol
CID 117325570
1-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117406783
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol
CID 84783811
2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid
CID 117359338

Frequently Asked Questions

What is the IUPAC name of 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol (CID 117359840) is 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol is CNCC(O)c1cc(OC)c(CF)cc1OC.
What is the InChIKey of 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol?
The InChIKey is SBCFZYDTIMWPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3/c1-14-7-10(15)9-5-11(16-2)8(6-13)4-12(9)17-3/h4-5,10,14-15H,6-7H2,1-3H3.
What are the key properties of 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol?
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol has a molecular weight of 243.28 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117359840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).