1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol

C14H23NO3 — CID 65120971

IUPAC1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCC(O)c2ccco2)C1
InChIInChI=1S/C14H23NO3/c1-11-4-2-6-14(17,8-11)10-15-9-12(16)13-5-3-7-18-13/h3,5,7,11-12,15-17H,2,4,6,8-10H2,1H3
InChIKeyUEHUMEGKOOMGPV-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.84
Rot. Bonds5

About 1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol

1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65120971) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65120971
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCC(O)c2ccco2)C1
InChIInChI=1S/C14H23NO3/c1-11-4-2-6-14(17,8-11)10-15-9-12(16)13-5-3-7-18-13/h3,5,7,11-12,15-17H,2,4,6,8-10H2,1H3
InChIKeyUEHUMEGKOOMGPV-UHFFFAOYSA-N
XLogP1.84
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 107876213
1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol
CID 115454702
1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65117297
1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 103157916
1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol
CID 113429693
2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol
CID 55025032
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 116501341
1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117347
1-cyclopropyl-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]ethanol
CID 63296627
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933298
2-[(2,2-dimethylcyclopropyl)amino]-1-(furan-2-yl)ethanol
CID 61223910

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol (CID 65120971) is 1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNCC(O)c2ccco2)C1.
What is the InChIKey of 1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is UEHUMEGKOOMGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11-4-2-6-14(17,8-11)10-15-9-12(16)13-5-3-7-18-13/h3,5,7,11-12,15-17H,2,4,6,8-10H2,1H3.
What are the key properties of 1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol?
1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65120971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).