[1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine

C10H20FNO — CID 80699164

IUPAC[1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(OCCF)C1
InChIInChI=1S/C10H20FNO/c1-9-3-2-4-10(7-9,8-12)13-6-5-11/h9H,2-8,12H2,1H3
InChIKeyQILXAGUJVRBMFJ-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.88
Rot. Bonds4

About [1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine

[1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine (PubChem CID 80699164) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is [1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine
PubChem CID80699164
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name[1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(OCCF)C1
InChIInChI=1S/C10H20FNO/c1-9-3-2-4-10(7-9,8-12)13-6-5-11/h9H,2-8,12H2,1H3
InChIKeyQILXAGUJVRBMFJ-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine?
The IUPAC name of [1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine (CID 80699164) is [1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine is CC1CCCC(CN)(OCCF)C1.
What is the InChIKey of [1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine?
The InChIKey is QILXAGUJVRBMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9-3-2-4-10(7-9,8-12)13-6-5-11/h9H,2-8,12H2,1H3.
What are the key properties of [1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine?
[1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine has a molecular weight of 189.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethoxy)-3-methylcyclohexyl]methanamine is sourced from PubChem (CID 80699164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).