2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol

C15H23FN2O — CID 54995199

IUPAC2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
SMILESCCNC(C)c1cc(F)ccc1N(CCO)C1CC1
InChIInChI=1S/C15H23FN2O/c1-3-17-11(2)14-10-12(16)4-7-15(14)18(8-9-19)13-5-6-13/h4,7,10-11,13,17,19H,3,5-6,8-9H2,1-2H3
InChIKeyMSZQPVIDEAFPQK-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.46
Rot. Bonds7

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

2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol (PubChem CID 54995199) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
PubChem CID54995199
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
SMILESCCNC(C)c1cc(F)ccc1N(CCO)C1CC1
InChIInChI=1S/C15H23FN2O/c1-3-17-11(2)14-10-12(16)4-7-15(14)18(8-9-19)13-5-6-13/h4,7,10-11,13,17,19H,3,5-6,8-9H2,1-2H3
InChIKeyMSZQPVIDEAFPQK-UHFFFAOYSA-N
XLogP2.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol?
The IUPAC name of 2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol (CID 54995199) is 2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol.
What is the SMILES notation for 2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol?
The canonical SMILES for 2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol is CCNC(C)c1cc(F)ccc1N(CCO)C1CC1.
What is the InChIKey of 2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol?
The InChIKey is MSZQPVIDEAFPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-17-11(2)14-10-12(16)4-7-15(14)18(8-9-19)13-5-6-13/h4,7,10-11,13,17,19H,3,5-6,8-9H2,1-2H3.
What are the key properties of 2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol?
2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol has a molecular weight of 266.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol is sourced from PubChem (CID 54995199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).