2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol

C15H14FNO3 — CID 111579089

IUPAC2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol
SMILESOC(CNCc1cc2cc(F)ccc2o1)c1ccco1
InChIInChI=1S/C15H14FNO3/c16-11-3-4-14-10(6-11)7-12(20-14)8-17-9-13(18)15-2-1-5-19-15/h1-7,13,17-18H,8-9H2
InChIKeyVDNQVRJWFGMYEO-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.99
Rot. Bonds5

About 2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol

2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol (PubChem CID 111579089) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol
PubChem CID111579089
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol
SMILESOC(CNCc1cc2cc(F)ccc2o1)c1ccco1
InChIInChI=1S/C15H14FNO3/c16-11-3-4-14-10(6-11)7-12(20-14)8-17-9-13(18)15-2-1-5-19-15/h1-7,13,17-18H,8-9H2
InChIKeyVDNQVRJWFGMYEO-UHFFFAOYSA-N
XLogP2.99
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol
CID 111579203
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
[1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579350
2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888245
N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 114728407
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol
CID 106372593
2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol
CID 110019175
4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120963033
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 61044455
2-[[2-(difluoromethoxy)phenyl]methylamino]-1-(furan-2-yl)ethanol
CID 110888248
1-(2-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890476
2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
CID 109380276

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol (CID 111579089) is 2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol is OC(CNCc1cc2cc(F)ccc2o1)c1ccco1.
What is the InChIKey of 2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol?
The InChIKey is VDNQVRJWFGMYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-11-3-4-14-10(6-11)7-12(20-14)8-17-9-13(18)15-2-1-5-19-15/h1-7,13,17-18H,8-9H2.
What are the key properties of 2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol?
2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol has a molecular weight of 275.28 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 111579089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).