2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol

C14H23NO2 — CID 75509295

IUPAC2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol
SMILESCC1CCC(NC(CO)c2ccco2)CC1C
InChIInChI=1S/C14H23NO2/c1-10-5-6-12(8-11(10)2)15-13(9-16)14-4-3-7-17-14/h3-4,7,10-13,15-16H,5-6,8-9H2,1-2H3
InChIKeyFWEBSLPARNZHNQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.73
Rot. Bonds4

About 2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol

2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol (PubChem CID 75509295) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol
PubChem CID75509295
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol
SMILESCC1CCC(NC(CO)c2ccco2)CC1C
InChIInChI=1S/C14H23NO2/c1-10-5-6-12(8-11(10)2)15-13(9-16)14-4-3-7-17-14/h3-4,7,10-13,15-16H,5-6,8-9H2,1-2H3
InChIKeyFWEBSLPARNZHNQ-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

2-(1-cyclopropylethylamino)-2-(furan-2-yl)ethanol
CID 115677419
N-[1-(furan-2-yl)propyl]-3,5-dimethylcyclohexan-1-amine
CID 64731661
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859
N-[(1R)-1-(furan-2-yl)-2-phenylethyl]cyclopropanamine
CID 125485850
N-(3,3-dimethyl-1-phenylbutyl)-3,4-dimethylcyclohexan-1-amine
CID 64746392
cis-(1S,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429824
trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429823
(3,4-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 64738417
2-[(3-ethylcyclopentyl)amino]-2-phenylethanol
CID 64500919
[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
CID 104854163
1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 119036267
tert-butyl-[[(1S)-1-(furan-2-yl)-2-hydroxyethyl]amino]-oxidosulfanium
CID 174107664

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol (CID 75509295) is 2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol is CC1CCC(NC(CO)c2ccco2)CC1C.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol?
The InChIKey is FWEBSLPARNZHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-5-6-12(8-11(10)2)15-13(9-16)14-4-3-7-17-14/h3-4,7,10-13,15-16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol?
2-[(3,4-dimethylcyclohexyl)amino]-2-(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-[(3,4-dimethylcyclohexyl)amino]-2-(furan-2-yl)ethanol is sourced from PubChem (CID 75509295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).