2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol

C18H20FN5O — CID 84595789

IUPAC2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
SMILESCC(NCC(C)(O)c1ccc(F)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H20FN5O/c1-13(14-3-9-17(10-4-14)24-12-21-22-23-24)20-11-18(2,25)15-5-7-16(19)8-6-15/h3-10,12-13,20,25H,11H2,1-2H3
InChIKeyISOIFRFCJCXFPV-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.36
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol

2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol (PubChem CID 84595789) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
PubChem CID84595789
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
SMILESCC(NCC(C)(O)c1ccc(F)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H20FN5O/c1-13(14-3-9-17(10-4-14)24-12-21-22-23-24)20-11-18(2,25)15-5-7-16(19)8-6-15/h3-10,12-13,20,25H,11H2,1-2H3
InChIKeyISOIFRFCJCXFPV-UHFFFAOYSA-N
XLogP2.36
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol (CID 84595789) is 2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol is CC(NCC(C)(O)c1ccc(F)cc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol?
The InChIKey is ISOIFRFCJCXFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-13(14-3-9-17(10-4-14)24-12-21-22-23-24)20-11-18(2,25)15-5-7-16(19)8-6-15/h3-10,12-13,20,25H,11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol?
2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol has a molecular weight of 341.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol is sourced from PubChem (CID 84595789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).