2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol

C12H16FNO — CID 144941479

IUPAC2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol
SMILESC=CN(C)C(CO)c1ccc(C)c(F)c1
InChIInChI=1S/C12H16FNO/c1-4-14(3)12(8-15)10-6-5-9(2)11(13)7-10/h4-7,12,15H,1,8H2,2-3H3
InChIKeyOYQNJXNHCLBKBY-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.24
Rot. Bonds4

About 2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol

2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol (PubChem CID 144941479) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol
PubChem CID144941479
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol
SMILESC=CN(C)C(CO)c1ccc(C)c(F)c1
InChIInChI=1S/C12H16FNO/c1-4-14(3)12(8-15)10-6-5-9(2)11(13)7-10/h4-7,12,15H,1,8H2,2-3H3
InChIKeyOYQNJXNHCLBKBY-UHFFFAOYSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol?
The IUPAC name of 2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol (CID 144941479) is 2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol.
What is the SMILES notation for 2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol?
The canonical SMILES for 2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol is C=CN(C)C(CO)c1ccc(C)c(F)c1.
What is the InChIKey of 2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol?
The InChIKey is OYQNJXNHCLBKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-4-14(3)12(8-15)10-6-5-9(2)11(13)7-10/h4-7,12,15H,1,8H2,2-3H3.
What are the key properties of 2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol?
2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol has a molecular weight of 209.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol is sourced from PubChem (CID 144941479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).