4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol

C12H18FNO — CID 71290578

IUPAC4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol
SMILESCCN(C)CCc1cc(C)c(O)cc1F
InChIInChI=1S/C12H18FNO/c1-4-14(3)6-5-10-7-9(2)12(15)8-11(10)13/h7-8,15H,4-6H2,1-3H3
InChIKeyGNRAQEHSKHYEBB-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.33
Rot. Bonds4

About 4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol

4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol (PubChem CID 71290578) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol.

Molecular Properties

Compound Name4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol
PubChem CID71290578
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol
SMILESCCN(C)CCc1cc(C)c(O)cc1F
InChIInChI=1S/C12H18FNO/c1-4-14(3)6-5-10-7-9(2)12(15)8-11(10)13/h7-8,15H,4-6H2,1-3H3
InChIKeyGNRAQEHSKHYEBB-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tolterodine
CID 443879
2,4,6-Tris((dimethylamino)methyl)phenol
CID 7026
Hordenine
CID 68313
Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-
CID 66609
Candicine
CID 23135
4-(1,2,3,6-Tetrahydro-1-methyl-4-pyridinyl)phenol
CID 95056
Candicine iodide
CID 15127809
Hordenine hydrochloride
CID 165396
4-{2-[Ethyl-(4-phenyl-butyl)-amino]-ethyl}-phenol
CID 10685438
2-(2-Pyrrolidin-1-ylethyl)phenol
CID 44456361
2-(diethylaminomethyl)-4-[(E)-4-[3-(diethylaminomethyl)-4-hydroxyphenyl]hex-3-en-3-yl]phenol
CID 5473838
4-Tert-butyl-2,6-bis((dimethylamino)methyl)phenol
CID 223214

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol?
The IUPAC name of 4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol (CID 71290578) is 4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol.
What is the SMILES notation for 4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol?
The canonical SMILES for 4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol is CCN(C)CCc1cc(C)c(O)cc1F.
What is the InChIKey of 4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol?
The InChIKey is GNRAQEHSKHYEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-14(3)6-5-10-7-9(2)12(15)8-11(10)13/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol?
4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol has a molecular weight of 211.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(methyl)amino]ethyl]-5-fluoro-2-methylphenol is sourced from PubChem (CID 71290578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).