2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol

C19H25NO3 — CID 24713986

IUPAC2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
SMILESCc1ccc(CN(CC2CCCO2)CC(O)c2ccccc2)o1
InChIInChI=1S/C19H25NO3/c1-15-9-10-18(23-15)13-20(12-17-8-5-11-22-17)14-19(21)16-6-3-2-4-7-16/h2-4,6-7,9-10,17,19,21H,5,8,11-14H2,1H3
InChIKeyCOQBDGLHLDVGFC-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.30
Rot. Bonds7

About 2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol

2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol (PubChem CID 24713986) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
PubChem CID24713986
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
SMILESCc1ccc(CN(CC2CCCO2)CC(O)c2ccccc2)o1
InChIInChI=1S/C19H25NO3/c1-15-9-10-18(23-15)13-20(12-17-8-5-11-22-17)14-19(21)16-6-3-2-4-7-16/h2-4,6-7,9-10,17,19,21H,5,8,11-14H2,1H3
InChIKeyCOQBDGLHLDVGFC-UHFFFAOYSA-N
XLogP3.30
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 129419545
(2R)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161955
2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 42836975
(2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 98628192
N-[(2-ethylpyrimidin-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962857
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 5052075
N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51495228
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
CID 61433987
3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
CID 62613757
(2R)-1-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129428443
1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one
CID 51497302
1-[benzyl(oxolan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713650

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol?
The IUPAC name of 2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol (CID 24713986) is 2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol is Cc1ccc(CN(CC2CCCO2)CC(O)c2ccccc2)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol?
The InChIKey is COQBDGLHLDVGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-15-9-10-18(23-15)13-20(12-17-8-5-11-22-17)14-19(21)16-6-3-2-4-7-16/h2-4,6-7,9-10,17,19,21H,5,8,11-14H2,1H3.
What are the key properties of 2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol?
2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol has a molecular weight of 315.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol is sourced from PubChem (CID 24713986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).