3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol

C13H14FNO2 — CID 65185271

IUPAC3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
SMILESNCC(c1ccc(F)cc1)C(O)c1ccoc1
InChIInChI=1S/C13H14FNO2/c14-11-3-1-9(2-4-11)12(7-15)13(16)10-5-6-17-8-10/h1-6,8,12-13,16H,7,15H2
InChIKeyDSGFSYUZMZIBTC-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.19
Rot. Bonds4

About 3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol

3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol (PubChem CID 65185271) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
PubChem CID65185271
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
SMILESNCC(c1ccc(F)cc1)C(O)c1ccoc1
InChIInChI=1S/C13H14FNO2/c14-11-3-1-9(2-4-11)12(7-15)13(16)10-5-6-17-8-10/h1-6,8,12-13,16H,7,15H2
InChIKeyDSGFSYUZMZIBTC-UHFFFAOYSA-N
XLogP2.19
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65188011
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
CID 65185223
N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
CID 65378964
3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol
CID 65185834
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
2-amino-1-(furan-3-yl)propane-1,3-diol
CID 66204732
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
CID 63208552
3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808376

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol (CID 65185271) is 3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol is NCC(c1ccc(F)cc1)C(O)c1ccoc1.
What is the InChIKey of 3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol?
The InChIKey is DSGFSYUZMZIBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-11-3-1-9(2-4-11)12(7-15)13(16)10-5-6-17-8-10/h1-6,8,12-13,16H,7,15H2.
What are the key properties of 3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol?
3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol has a molecular weight of 235.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol is sourced from PubChem (CID 65185271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).