1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol

C16H27NO3 — CID 110888306

IUPAC1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCC(N(C)CC(O)COCc2ccco2)C1
InChIInChI=1S/C16H27NO3/c1-13-5-3-6-14(9-13)17(2)10-15(18)11-19-12-16-7-4-8-20-16/h4,7-8,13-15,18H,3,5-6,9-12H2,1-2H3
InChIKeyIXYDIVLZLJYQRF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.67
Rot. Bonds7

About 1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol

1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol (PubChem CID 110888306) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
PubChem CID110888306
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCC(N(C)CC(O)COCc2ccco2)C1
InChIInChI=1S/C16H27NO3/c1-13-5-3-6-14(9-13)17(2)10-15(18)11-19-12-16-7-4-8-20-16/h4,7-8,13-15,18H,3,5-6,9-12H2,1-2H3
InChIKeyIXYDIVLZLJYQRF-UHFFFAOYSA-N
XLogP2.67
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclopentyl(ethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110892630
1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 60633413
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-(furan-2-ylmethoxy)-3-[(2-methylcyclopropyl)amino]propan-2-ol
CID 62397757
(2S)-1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93163974
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 24714141
(2R)-1-(furan-2-ylmethoxy)-3-[(5-methylthiophen-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 98628427
1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
CID 61443793
3-(furan-2-yl)-1-(3-methylcyclohexyl)propan-1-ol
CID 105104266
1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46006888
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
N-[2-(furan-2-ylmethoxy)ethyl]-3-methylcyclohexan-1-amine
CID 62565180

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol (CID 110888306) is 1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol is CC1CCCC(N(C)CC(O)COCc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is IXYDIVLZLJYQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13-5-3-6-14(9-13)17(2)10-15(18)11-19-12-16-7-4-8-20-16/h4,7-8,13-15,18H,3,5-6,9-12H2,1-2H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 110888306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).