1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride

C13H22ClNO2 — CID 115608900

IUPAC1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride
SMILESCl.OC(CNCc1ccoc1)C1CCCCC1
InChIInChI=1S/C13H21NO2.ClH/c15-13(12-4-2-1-3-5-12)9-14-8-11-6-7-16-10-11;/h6-7,10,12-15H,1-5,8-9H2;1H
InChIKeyCCMXMLQKSNGMFZ-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.73
Rot. Bonds5

About 1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride

1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride (PubChem CID 115608900) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride
PubChem CID115608900
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride
SMILESCl.OC(CNCc1ccoc1)C1CCCCC1
InChIInChI=1S/C13H21NO2.ClH/c15-13(12-4-2-1-3-5-12)9-14-8-11-6-7-16-10-11;/h6-7,10,12-15H,1-5,8-9H2;1H
InChIKeyCCMXMLQKSNGMFZ-UHFFFAOYSA-N
XLogP2.73
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-1-cyclohexylethanol
CID 14342015
(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol
CID 104874092
1-cyclopentyl-2-[(4-fluorophenyl)methylamino]ethanol
CID 111425447
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol
CID 166350994
1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol
CID 103458978
N-(2-cyclopentyl-2-hydroxyethyl)furan-3-carboxamide
CID 111426324
1-(furan-3-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623547
1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
CID 115671255
1-cyclohexyl-3-(furan-3-ylmethyl)urea
CID 47236948
2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol
CID 111425399
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol
CID 83174876
1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine
CID 115774680

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride?
The IUPAC name of 1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride (CID 115608900) is 1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride?
The canonical SMILES for 1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride is Cl.OC(CNCc1ccoc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride?
The InChIKey is CCMXMLQKSNGMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/c15-13(12-4-2-1-3-5-12)9-14-8-11-6-7-16-10-11;/h6-7,10,12-15H,1-5,8-9H2;1H.
What are the key properties of 1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride?
1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride is sourced from PubChem (CID 115608900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).