1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol

C13H18FNO — CID 63908117

IUPAC1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol
SMILESCCN(CC(O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-2-15(9-13(16)10-3-4-10)12-7-5-11(14)6-8-12/h5-8,10,13,16H,2-4,9H2,1H3
InChIKeyQDEFBDOIOWNGSY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.42
Rot. Bonds5

About 1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol

1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol (PubChem CID 63908117) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol
PubChem CID63908117
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol
SMILESCCN(CC(O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-2-15(9-13(16)10-3-4-10)12-7-5-11(14)6-8-12/h5-8,10,13,16H,2-4,9H2,1H3
InChIKeyQDEFBDOIOWNGSY-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol (CID 63908117) is 1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol is CCN(CC(O)C1CC1)c1ccc(F)cc1.
What is the InChIKey of 1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol?
The InChIKey is QDEFBDOIOWNGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-15(9-13(16)10-3-4-10)12-7-5-11(14)6-8-12/h5-8,10,13,16H,2-4,9H2,1H3.
What are the key properties of 1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol?
1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol is sourced from PubChem (CID 63908117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).