2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol

C21H29FN2O — CID 166350955

IUPAC2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol
SMILESCCC1CCC(C(C)(O)CNCc2cnc3c(F)cccc3c2)CC1
InChIInChI=1S/C21H29FN2O/c1-3-15-7-9-18(10-8-15)21(2,25)14-23-12-16-11-17-5-4-6-19(22)20(17)24-13-16/h4-6,11,13,15,18,23,25H,3,7-10,12,14H2,1-2H3
InChIKeyGZYCCYFLNALYLC-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.43
Rot. Bonds6

About 2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol

2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol (PubChem CID 166350955) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol
PubChem CID166350955
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC Name2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol
SMILESCCC1CCC(C(C)(O)CNCc2cnc3c(F)cccc3c2)CC1
InChIInChI=1S/C21H29FN2O/c1-3-15-7-9-18(10-8-15)21(2,25)14-23-12-16-11-17-5-4-6-19(22)20(17)24-13-16/h4-6,11,13,15,18,23,25H,3,7-10,12,14H2,1-2H3
InChIKeyGZYCCYFLNALYLC-UHFFFAOYSA-N
XLogP4.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol?
The IUPAC name of 2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol (CID 166350955) is 2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol is CCC1CCC(C(C)(O)CNCc2cnc3c(F)cccc3c2)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol?
The InChIKey is GZYCCYFLNALYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O/c1-3-15-7-9-18(10-8-15)21(2,25)14-23-12-16-11-17-5-4-6-19(22)20(17)24-13-16/h4-6,11,13,15,18,23,25H,3,7-10,12,14H2,1-2H3.
What are the key properties of 2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol?
2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol has a molecular weight of 344.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 166350955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).