4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol

C14H23NO2 — CID 106125036

IUPAC4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(C(C)NCC2CCC(O)CC2)o1
InChIInChI=1S/C14H23NO2/c1-10-3-8-14(17-10)11(2)15-9-12-4-6-13(16)7-5-12/h3,8,11-13,15-16H,4-7,9H2,1-2H3
InChIKeyHOOSQRGDCGOKRV-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.79
Rot. Bonds4

About 4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol

4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 106125036) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID106125036
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(C(C)NCC2CCC(O)CC2)o1
InChIInChI=1S/C14H23NO2/c1-10-3-8-14(17-10)11(2)15-9-12-4-6-13(16)7-5-12/h3,8,11-13,15-16H,4-7,9H2,1-2H3
InChIKeyHOOSQRGDCGOKRV-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 63242718
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 54898654
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 107094347
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 116521281
N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 81102675
1-cyclopentyl-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103157408
tert-butyl 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 104538101
4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 114146962
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol (CID 106125036) is 4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol is Cc1ccc(C(C)NCC2CCC(O)CC2)o1.
What is the InChIKey of 4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is HOOSQRGDCGOKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-3-8-14(17-10)11(2)15-9-12-4-6-13(16)7-5-12/h3,8,11-13,15-16H,4-7,9H2,1-2H3.
What are the key properties of 4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol?
4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106125036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).