2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine

C15H25FN2 — CID 163927240

IUPAC2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine
SMILESNC1=CCC2NC(C3CCC(F)CC3)CCC2C1
InChIInChI=1S/C15H25FN2/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h6,10-12,14-15,18H,1-5,7-9,17H2
InChIKeyRFNXTUQRJNAXJW-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.89
Rot. Bonds1

About 2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine

2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine (PubChem CID 163927240) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine.

Molecular Properties

Compound Name2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine
PubChem CID163927240
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine
SMILESNC1=CCC2NC(C3CCC(F)CC3)CCC2C1
InChIInChI=1S/C15H25FN2/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h6,10-12,14-15,18H,1-5,7-9,17H2
InChIKeyRFNXTUQRJNAXJW-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine?
The IUPAC name of 2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine (CID 163927240) is 2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine.
What is the SMILES notation for 2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine?
The canonical SMILES for 2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine is NC1=CCC2NC(C3CCC(F)CC3)CCC2C1.
What is the InChIKey of 2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine?
The InChIKey is RFNXTUQRJNAXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h6,10-12,14-15,18H,1-5,7-9,17H2.
What are the key properties of 2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine?
2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine has a molecular weight of 252.38 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexyl)-1,2,3,4,4a,5,8,8a-octahydroquinolin-6-amine is sourced from PubChem (CID 163927240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).