1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol

C15H25NO3 — CID 60633413

IUPAC1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCC(NCC(O)COCc2ccco2)CC1
InChIInChI=1S/C15H25NO3/c1-12-4-6-13(7-5-12)16-9-14(17)10-18-11-15-3-2-8-19-15/h2-3,8,12-14,16-17H,4-7,9-11H2,1H3
InChIKeySABWNXQYDSXBKL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.33
Rot. Bonds7

About 1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol

1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol (PubChem CID 60633413) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
PubChem CID60633413
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCC(NCC(O)COCc2ccco2)CC1
InChIInChI=1S/C15H25NO3/c1-12-4-6-13(7-5-12)16-9-14(17)10-18-11-15-3-2-8-19-15/h2-3,8,12-14,16-17H,4-7,9-11H2,1H3
InChIKeySABWNXQYDSXBKL-UHFFFAOYSA-N
XLogP2.33
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethoxy)-3-[(2-methylcyclopropyl)amino]propan-2-ol
CID 62397757
1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 54949730
1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol
CID 82726496
1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 63922347
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81388401
(2S)-1-(furan-2-ylmethoxy)-3-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95345327
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
(2S)-1-(furan-2-ylmethoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95751108
1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
CID 110888306
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol (CID 60633413) is 1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol is CC1CCC(NCC(O)COCc2ccco2)CC1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is SABWNXQYDSXBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12-4-6-13(7-5-12)16-9-14(17)10-18-11-15-3-2-8-19-15/h2-3,8,12-14,16-17H,4-7,9-11H2,1H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 60633413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).