4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol

C13H21NO3 — CID 106133141

IUPAC4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC(O)c2ccco2)CC1
InChIInChI=1S/C13H21NO3/c15-11-5-3-10(4-6-11)8-14-9-12(16)13-2-1-7-17-13/h1-2,7,10-12,14-16H,3-6,8-9H2
InChIKeyVEFADCABIHUWTM-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.45
Rot. Bonds5

About 4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol

4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106133141) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
PubChem CID106133141
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC(O)c2ccco2)CC1
InChIInChI=1S/C13H21NO3/c15-11-5-3-10(4-6-11)8-14-9-12(16)13-2-1-7-17-13/h1-2,7,10-12,14-16H,3-6,8-9H2
InChIKeyVEFADCABIHUWTM-UHFFFAOYSA-N
XLogP1.45
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (CID 106133141) is 4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is OC1CCC(CNCC(O)c2ccco2)CC1.
What is the InChIKey of 4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is VEFADCABIHUWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-11-5-3-10(4-6-11)8-14-9-12(16)13-2-1-7-17-13/h1-2,7,10-12,14-16H,3-6,8-9H2.
What are the key properties of 4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).