3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol

C14H16FNO2 — CID 65185322

IUPAC3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccc(F)cc2)o1
InChIInChI=1S/C14H16FNO2/c1-9-2-7-13(18-9)14(17)12(8-16)10-3-5-11(15)6-4-10/h2-7,12,14,17H,8,16H2,1H3
InChIKeyZRBWKIJXHCCOIV-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.50
Rot. Bonds4

About 3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol

3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol (PubChem CID 65185322) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
PubChem CID65185322
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccc(F)cc2)o1
InChIInChI=1S/C14H16FNO2/c1-9-2-7-13(18-9)14(17)12(8-16)10-3-5-11(15)6-4-10/h2-7,12,14,17H,8,16H2,1H3
InChIKeyZRBWKIJXHCCOIV-UHFFFAOYSA-N
XLogP2.50
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol (CID 65185322) is 3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol is Cc1ccc(C(O)C(CN)c2ccc(F)cc2)o1.
What is the InChIKey of 3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol?
The InChIKey is ZRBWKIJXHCCOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-9-2-7-13(18-9)14(17)12(8-16)10-3-5-11(15)6-4-10/h2-7,12,14,17H,8,16H2,1H3.
What are the key properties of 3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol?
3-amino-2-(4-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol has a molecular weight of 249.29 g/mol, XLogP of 2.50, 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-(5-methylfuran-2-yl)propan-1-ol is sourced from PubChem (CID 65185322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).