2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol

C14H23NO2 — CID 55025032

IUPAC2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol
SMILESCC1CCCC(NCC(O)c2ccco2)C1C
InChIInChI=1S/C14H23NO2/c1-10-5-3-6-12(11(10)2)15-9-13(16)14-7-4-8-17-14/h4,7-8,10-13,15-16H,3,5-6,9H2,1-2H3
InChIKeyDMJMMXKOZAYHFC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.73
Rot. Bonds4

About 2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol

2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol (PubChem CID 55025032) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol
PubChem CID55025032
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol
SMILESCC1CCCC(NCC(O)c2ccco2)C1C
InChIInChI=1S/C14H23NO2/c1-10-5-3-6-12(11(10)2)15-9-13(16)14-7-4-8-17-14/h4,7-8,10-13,15-16H,3,5-6,9H2,1-2H3
InChIKeyDMJMMXKOZAYHFC-UHFFFAOYSA-N
XLogP2.73
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910521
2-[(2,2-dimethylcyclopropyl)amino]-1-(furan-2-yl)ethanol
CID 61223910
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine
CID 43181240
1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 65120971
(1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol
CID 99717414
2-[[(1R)-1-cyclohexylethyl]amino]-1-(furan-2-yl)ethanol
CID 81384880
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
(1S)-1-(furan-2-yl)-2-[(1-propylpiperidin-4-yl)amino]ethanol
CID 97053749
1-cyclopropyl-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]ethanol
CID 63296627
N-(furan-2-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 64908204
N-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]furan-2-carboxamide
CID 11916086
2,3-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115651167

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol (CID 55025032) is 2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol is CC1CCCC(NCC(O)c2ccco2)C1C.
What is the InChIKey of 2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol?
The InChIKey is DMJMMXKOZAYHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-5-3-6-12(11(10)2)15-9-13(16)14-7-4-8-17-14/h4,7-8,10-13,15-16H,3,5-6,9H2,1-2H3.
What are the key properties of 2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol?
2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 55025032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).