3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline

C15H20FN5 — CID 64743598

IUPAC3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline
SMILESCCC1CCCC(n2nnnc2-c2cc(N)ccc2F)C1
InChIInChI=1S/C15H20FN5/c1-2-10-4-3-5-12(8-10)21-15(18-19-20-21)13-9-11(17)6-7-14(13)16/h6-7,9-10,12H,2-5,8,17H2,1H3
InChIKeyFCVRXZMGPJMUFW-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.20
Rot. Bonds3

About 3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline

3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline (PubChem CID 64743598) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline.

Molecular Properties

Compound Name3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline
PubChem CID64743598
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline
SMILESCCC1CCCC(n2nnnc2-c2cc(N)ccc2F)C1
InChIInChI=1S/C15H20FN5/c1-2-10-4-3-5-12(8-10)21-15(18-19-20-21)13-9-11(17)6-7-14(13)16/h6-7,9-10,12H,2-5,8,17H2,1H3
InChIKeyFCVRXZMGPJMUFW-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline?
The IUPAC name of 3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline (CID 64743598) is 3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline.
What is the SMILES notation for 3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline?
The canonical SMILES for 3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline is CCC1CCCC(n2nnnc2-c2cc(N)ccc2F)C1.
What is the InChIKey of 3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline?
The InChIKey is FCVRXZMGPJMUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-2-10-4-3-5-12(8-10)21-15(18-19-20-21)13-9-11(17)6-7-14(13)16/h6-7,9-10,12H,2-5,8,17H2,1H3.
What are the key properties of 3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline?
3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline has a molecular weight of 289.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline is sourced from PubChem (CID 64743598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).