[1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine

C12H24FNO — CID 80699285

IUPAC[1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCCF)CC1
InChIInChI=1S/C12H24FNO/c1-2-3-11-4-6-12(10-14,7-5-11)15-9-8-13/h11H,2-10,14H2,1H3
InChIKeyBDJBFCUVZCEAPG-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.66
Rot. Bonds6

About [1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine

[1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine (PubChem CID 80699285) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is [1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine
PubChem CID80699285
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name[1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCCF)CC1
InChIInChI=1S/C12H24FNO/c1-2-3-11-4-6-12(10-14,7-5-11)15-9-8-13/h11H,2-10,14H2,1H3
InChIKeyBDJBFCUVZCEAPG-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine (CID 80699285) is [1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(OCCF)CC1.
What is the InChIKey of [1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is BDJBFCUVZCEAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-2-3-11-4-6-12(10-14,7-5-11)15-9-8-13/h11H,2-10,14H2,1H3.
What are the key properties of [1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine?
[1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 217.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethoxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 80699285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).