2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol

C17H16FNO2S — CID 111470598

IUPAC2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol
SMILESOCC(NCc1ccc(-c2ccc(F)cc2)s1)c1ccco1
InChIInChI=1S/C17H16FNO2S/c18-13-5-3-12(4-6-13)17-8-7-14(22-17)10-19-15(11-20)16-2-1-9-21-16/h1-9,15,19-20H,10-11H2
InChIKeyJUICBZXYISEDRO-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.97
Rot. Bonds6

About 2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol

2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol (PubChem CID 111470598) has the molecular formula C17H16FNO2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol
PubChem CID111470598
Molecular FormulaC17H16FNO2S
Molecular Weight317.38 g/mol
Exact Mass317.09
IUPAC Name2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol
SMILESOCC(NCc1ccc(-c2ccc(F)cc2)s1)c1ccco1
InChIInChI=1S/C17H16FNO2S/c18-13-5-3-12(4-6-13)17-8-7-14(22-17)10-19-15(11-20)16-2-1-9-21-16/h1-9,15,19-20H,10-11H2
InChIKeyJUICBZXYISEDRO-UHFFFAOYSA-N
XLogP3.97
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(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

2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 111470567
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43214098
(2S)-2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-3-methylbutanoic acid
CID 120510670
2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
CID 111916789
(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 99850577
2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol
CID 111478435
2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol
CID 111470467
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
4-bromo-2-[[[1-(furan-2-yl)-2-hydroxyethyl]amino]methyl]phenol
CID 111470423
3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
CID 78998187
(2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine
CID 59978709
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18109835

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol?
The IUPAC name of 2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol (CID 111470598) is 2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol?
The canonical SMILES for 2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol is OCC(NCc1ccc(-c2ccc(F)cc2)s1)c1ccco1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol?
The InChIKey is JUICBZXYISEDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c18-13-5-3-12(4-6-13)17-8-7-14(22-17)10-19-15(11-20)16-2-1-9-21-16/h1-9,15,19-20H,10-11H2.
What are the key properties of 2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol?
2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol has a molecular weight of 317.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol is sourced from PubChem (CID 111470598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).