4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine

C15H20FNO — CID 114523630

IUPAC4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(c2cccc(OC3CC3)c2)CC1
InChIInChI=1S/C15H20FNO/c16-15(8-6-12(17)7-9-15)11-2-1-3-14(10-11)18-13-4-5-13/h1-3,10,12-13H,4-9,17H2
InChIKeyUAXFPSDFGFOYPZ-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.29
Rot. Bonds3

About 4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine

4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine (PubChem CID 114523630) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine
PubChem CID114523630
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(c2cccc(OC3CC3)c2)CC1
InChIInChI=1S/C15H20FNO/c16-15(8-6-12(17)7-9-15)11-2-1-3-14(10-11)18-13-4-5-13/h1-3,10,12-13H,4-9,17H2
InChIKeyUAXFPSDFGFOYPZ-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine (CID 114523630) is 4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine is NC1CCC(F)(c2cccc(OC3CC3)c2)CC1.
What is the InChIKey of 4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine?
The InChIKey is UAXFPSDFGFOYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-15(8-6-12(17)7-9-15)11-2-1-3-14(10-11)18-13-4-5-13/h1-3,10,12-13H,4-9,17H2.
What are the key properties of 4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine?
4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 114523630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).