2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol

C15H25FN2O — CID 54879809

IUPAC2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol
SMILESCCCNC(C)c1cc(F)ccc1N(CC)CCO
InChIInChI=1S/C15H25FN2O/c1-4-8-17-12(3)14-11-13(16)6-7-15(14)18(5-2)9-10-19/h6-7,11-12,17,19H,4-5,8-10H2,1-3H3
InChIKeyNHLOGIFJQZELKV-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.70
Rot. Bonds8

About 2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol

2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol (PubChem CID 54879809) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol
PubChem CID54879809
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol
SMILESCCCNC(C)c1cc(F)ccc1N(CC)CCO
InChIInChI=1S/C15H25FN2O/c1-4-8-17-12(3)14-11-13(16)6-7-15(14)18(5-2)9-10-19/h6-7,11-12,17,19H,4-5,8-10H2,1-3H3
InChIKeyNHLOGIFJQZELKV-UHFFFAOYSA-N
XLogP2.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol (CID 54879809) is 2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol is CCCNC(C)c1cc(F)ccc1N(CC)CCO.
What is the InChIKey of 2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol?
The InChIKey is NHLOGIFJQZELKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-4-8-17-12(3)14-11-13(16)6-7-15(14)18(5-2)9-10-19/h6-7,11-12,17,19H,4-5,8-10H2,1-3H3.
What are the key properties of 2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol?
2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol has a molecular weight of 268.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol is sourced from PubChem (CID 54879809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).