4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine

C14H28FNO — CID 103392667

IUPAC4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
SMILESCCC1CCCCC1C(F)(CCCN)COC
InChIInChI=1S/C14H28FNO/c1-3-12-7-4-5-8-13(12)14(15,11-17-2)9-6-10-16/h12-13H,3-11,16H2,1-2H3
InChIKeyPOFVZTUYMXUVFZ-UHFFFAOYSA-N
MW245.38 g/mol
LogP3.30
Rot. Bonds7

About 4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine

4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392667) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392667
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC Name4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
SMILESCCC1CCCCC1C(F)(CCCN)COC
InChIInChI=1S/C14H28FNO/c1-3-12-7-4-5-8-13(12)14(15,11-17-2)9-6-10-16/h12-13H,3-11,16H2,1-2H3
InChIKeyPOFVZTUYMXUVFZ-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine (CID 103392667) is 4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine is CCC1CCCCC1C(F)(CCCN)COC.
What is the InChIKey of 4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is POFVZTUYMXUVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO/c1-3-12-7-4-5-8-13(12)14(15,11-17-2)9-6-10-16/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine?
4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 245.38 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).