2-(N-ethyl-4-fluoro-3-methylanilino)ethanol

C11H16FNO — CID 19861522

IUPAC2-(N-ethyl-4-fluoro-3-methylanilino)ethanol
SMILESCCN(CCO)c1ccc(F)c(C)c1
InChIInChI=1S/C11H16FNO/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyKDRFCTLUVUMTGF-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.95
Rot. Bonds4

About 2-(N-ethyl-4-fluoro-3-methylanilino)ethanol

2-(N-ethyl-4-fluoro-3-methylanilino)ethanol (PubChem CID 19861522) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoro-3-methylanilino)ethanol.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoro-3-methylanilino)ethanol
PubChem CID19861522
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(N-ethyl-4-fluoro-3-methylanilino)ethanol
SMILESCCN(CCO)c1ccc(F)c(C)c1
InChIInChI=1S/C11H16FNO/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyKDRFCTLUVUMTGF-UHFFFAOYSA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-fluoro-3-methylanilino)ethanol?
The IUPAC name of 2-(N-ethyl-4-fluoro-3-methylanilino)ethanol (CID 19861522) is 2-(N-ethyl-4-fluoro-3-methylanilino)ethanol.
What is the SMILES notation for 2-(N-ethyl-4-fluoro-3-methylanilino)ethanol?
The canonical SMILES for 2-(N-ethyl-4-fluoro-3-methylanilino)ethanol is CCN(CCO)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(N-ethyl-4-fluoro-3-methylanilino)ethanol?
The InChIKey is KDRFCTLUVUMTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of 2-(N-ethyl-4-fluoro-3-methylanilino)ethanol?
2-(N-ethyl-4-fluoro-3-methylanilino)ethanol has a molecular weight of 197.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-fluoro-3-methylanilino)ethanol is sourced from PubChem (CID 19861522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).