1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol

C15H18FNO2 — CID 54913714

IUPAC1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol
SMILESCC(Cc1ccco1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C15H18FNO2/c1-11(8-14-6-3-7-19-14)17-10-15(18)12-4-2-5-13(16)9-12/h2-7,9,11,15,17-18H,8,10H2,1H3
InChIKeySSXMDJQMLJXSGM-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.67
Rot. Bonds6

About 1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol

1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol (PubChem CID 54913714) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol
PubChem CID54913714
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol
SMILESCC(Cc1ccco1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C15H18FNO2/c1-11(8-14-6-3-7-19-14)17-10-15(18)12-4-2-5-13(16)9-12/h2-7,9,11,15,17-18H,8,10H2,1H3
InChIKeySSXMDJQMLJXSGM-UHFFFAOYSA-N
XLogP2.67
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol (CID 54913714) is 1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol is CC(Cc1ccco1)NCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol?
The InChIKey is SSXMDJQMLJXSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-11(8-14-6-3-7-19-14)17-10-15(18)12-4-2-5-13(16)9-12/h2-7,9,11,15,17-18H,8,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol?
1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol has a molecular weight of 263.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[1-(furan-2-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 54913714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).