N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline

C15H20FN5 — CID 64762871

IUPACN-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline
SMILESCC1CCC(C)C(Nc2cc(-n3cnnn3)ccc2F)C1
InChIInChI=1S/C15H20FN5/c1-10-3-4-11(2)14(7-10)18-15-8-12(5-6-13(15)16)21-9-17-19-20-21/h5-6,8-11,14,18H,3-4,7H2,1-2H3
InChIKeyLUOFDFOGWOAWLM-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.04
Rot. Bonds3

About N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline

N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline (PubChem CID 64762871) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline
PubChem CID64762871
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC NameN-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline
SMILESCC1CCC(C)C(Nc2cc(-n3cnnn3)ccc2F)C1
InChIInChI=1S/C15H20FN5/c1-10-3-4-11(2)14(7-10)18-15-8-12(5-6-13(15)16)21-9-17-19-20-21/h5-6,8-11,14,18H,3-4,7H2,1-2H3
InChIKeyLUOFDFOGWOAWLM-UHFFFAOYSA-N
XLogP3.04
TPSA55.63 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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline (CID 64762871) is N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline is CC1CCC(C)C(Nc2cc(-n3cnnn3)ccc2F)C1.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline?
The InChIKey is LUOFDFOGWOAWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-10-3-4-11(2)14(7-10)18-15-8-12(5-6-13(15)16)21-9-17-19-20-21/h5-6,8-11,14,18H,3-4,7H2,1-2H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline?
N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline has a molecular weight of 289.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 64762871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).