1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol

C16H27NO3 — CID 60909613

IUPAC1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCC(OCC(O)CNC(C)c2ccco2)C1
InChIInChI=1S/C16H27NO3/c1-12-5-3-6-15(9-12)20-11-14(18)10-17-13(2)16-7-4-8-19-16/h4,7-8,12-15,17-18H,3,5-6,9-11H2,1-2H3
InChIKeyPRWGRWMPXJOIMH-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.89
Rot. Bonds7

About 1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol

1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60909613) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
PubChem CID60909613
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCC(OCC(O)CNC(C)c2ccco2)C1
InChIInChI=1S/C16H27NO3/c1-12-5-3-6-15(9-12)20-11-14(18)10-17-13(2)16-7-4-8-19-16/h4,7-8,12-15,17-18H,3,5-6,9-11H2,1-2H3
InChIKeyPRWGRWMPXJOIMH-UHFFFAOYSA-N
XLogP2.89
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 81394530
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 79099917
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
1-cyclopentyl-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 103158136
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938859
1-[1-(furan-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 54938663
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
CID 104891895
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514
1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60633099
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol (CID 60909613) is 1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol is CC1CCCC(OCC(O)CNC(C)c2ccco2)C1.
What is the InChIKey of 1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is PRWGRWMPXJOIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12-5-3-6-15(9-12)20-11-14(18)10-17-13(2)16-7-4-8-19-16/h4,7-8,12-15,17-18H,3,5-6,9-11H2,1-2H3.
What are the key properties of 1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60909613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).