3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline

C15H20FN5 — CID 103298181

IUPAC3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline
SMILESCc1cc(N)cc(-c2nnnn2C(C)C2CCCC2)c1F
InChIInChI=1S/C15H20FN5/c1-9-7-12(17)8-13(14(9)16)15-18-19-20-21(15)10(2)11-5-3-4-6-11/h7-8,10-11H,3-6,17H2,1-2H3
InChIKeyBLACIXVVBMSVEM-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.12
Rot. Bonds3

About 3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline

3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline (PubChem CID 103298181) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline.

Molecular Properties

Compound Name3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline
PubChem CID103298181
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline
SMILESCc1cc(N)cc(-c2nnnn2C(C)C2CCCC2)c1F
InChIInChI=1S/C15H20FN5/c1-9-7-12(17)8-13(14(9)16)15-18-19-20-21(15)10(2)11-5-3-4-6-11/h7-8,10-11H,3-6,17H2,1-2H3
InChIKeyBLACIXVVBMSVEM-UHFFFAOYSA-N
XLogP3.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline?
The IUPAC name of 3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline (CID 103298181) is 3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline.
What is the SMILES notation for 3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline?
The canonical SMILES for 3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline is Cc1cc(N)cc(-c2nnnn2C(C)C2CCCC2)c1F.
What is the InChIKey of 3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline?
The InChIKey is BLACIXVVBMSVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-9-7-12(17)8-13(14(9)16)15-18-19-20-21(15)10(2)11-5-3-4-6-11/h7-8,10-11H,3-6,17H2,1-2H3.
What are the key properties of 3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline?
3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline has a molecular weight of 289.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline is sourced from PubChem (CID 103298181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).