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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Related Compounds

2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol
CID 54776114
(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
CID 26595281
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
CID 55245379
2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170020811
2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol
CID 113426383
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene
CID 153499802
1-(3-fluoro-4-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983968
3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 75431313
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
1-(3-fluoro-4-methylphenyl)-3-methylbut-3-en-1-ol
CID 79177359
N-benzyl-1-(3-fluoro-4-methylphenyl)-N-methylethane-1,2-diamine
CID 63645213

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).