1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol

C17H18FN5O2 — CID 133272708

IUPAC1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol
SMILESCc1ccc(-n2nnnc2NCC(O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN5O2/c1-12-2-6-14(7-3-12)23-17(20-21-22-23)19-10-15(24)11-25-16-8-4-13(18)5-9-16/h2-9,15,24H,10-11H2,1H3,(H,19,20,22)
InChIKeyDNYJGAGTKJMZOV-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.96
Rot. Bonds7

About 1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol

1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol (PubChem CID 133272708) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol
PubChem CID133272708
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol
SMILESCc1ccc(-n2nnnc2NCC(O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN5O2/c1-12-2-6-14(7-3-12)23-17(20-21-22-23)19-10-15(24)11-25-16-8-4-13(18)5-9-16/h2-9,15,24H,10-11H2,1H3,(H,19,20,22)
InChIKeyDNYJGAGTKJMZOV-UHFFFAOYSA-N
XLogP1.96
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol (CID 133272708) is 1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol is Cc1ccc(-n2nnnc2NCC(O)COc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol?
The InChIKey is DNYJGAGTKJMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-12-2-6-14(7-3-12)23-17(20-21-22-23)19-10-15(24)11-25-16-8-4-13(18)5-9-16/h2-9,15,24H,10-11H2,1H3,(H,19,20,22).
What are the key properties of 1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol?
1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol has a molecular weight of 343.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol is sourced from PubChem (CID 133272708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).