4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol

C19H27ClFNO2 — CID 153338566

IUPAC4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol
SMILESOC1COCCC1NCCC1CCC(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H27ClFNO2/c20-17-11-15(21)5-6-16(17)14-3-1-13(2-4-14)7-9-22-18-8-10-24-12-19(18)23/h5-6,11,13-14,18-19,22-23H,1-4,7-10,12H2
InChIKeyGSFDWGIEIJMQFT-UHFFFAOYSA-N
MW355.88 g/mol
LogP3.88
Rot. Bonds5

About 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol

4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol (PubChem CID 153338566) has the molecular formula C19H27ClFNO2 and a molecular weight of 355.88 g/mol. Its IUPAC name is 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol.

Molecular Properties

Compound Name4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol
PubChem CID153338566
Molecular FormulaC19H27ClFNO2
Molecular Weight355.88 g/mol
Exact Mass355.17
IUPAC Name4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol
SMILESOC1COCCC1NCCC1CCC(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H27ClFNO2/c20-17-11-15(21)5-6-16(17)14-3-1-13(2-4-14)7-9-22-18-8-10-24-12-19(18)23/h5-6,11,13-14,18-19,22-23H,1-4,7-10,12H2
InChIKeyGSFDWGIEIJMQFT-UHFFFAOYSA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.88
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol?
The IUPAC name of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol (CID 153338566) is 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol.
What is the SMILES notation for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol?
The canonical SMILES for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol is OC1COCCC1NCCC1CCC(c2ccc(F)cc2Cl)CC1.
What is the InChIKey of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol?
The InChIKey is GSFDWGIEIJMQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClFNO2/c20-17-11-15(21)5-6-16(17)14-3-1-13(2-4-14)7-9-22-18-8-10-24-12-19(18)23/h5-6,11,13-14,18-19,22-23H,1-4,7-10,12H2.
What are the key properties of 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol?
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol has a molecular weight of 355.88 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol is sourced from PubChem (CID 153338566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).