1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol

C15H19NO3 — CID 78954234

IUPAC1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
SMILESCOc1cccc(C(O)CNCc2ccc(C)o2)c1
InChIInChI=1S/C15H19NO3/c1-11-6-7-14(19-11)9-16-10-15(17)12-4-3-5-13(8-12)18-2/h3-8,15-17H,9-10H2,1-2H3
InChIKeyMPJKVWCSBCYZOR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.42
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol

1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol (PubChem CID 78954234) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
PubChem CID78954234
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
SMILESCOc1cccc(C(O)CNCc2ccc(C)o2)c1
InChIInChI=1S/C15H19NO3/c1-11-6-7-14(19-11)9-16-10-15(17)12-4-3-5-13(8-12)18-2/h3-8,15-17H,9-10H2,1-2H3
InChIKeyMPJKVWCSBCYZOR-UHFFFAOYSA-N
XLogP2.42
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethanol
CID 81135106
1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 54863619
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 60761067
1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955555
1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
CID 78954160
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 111115593
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 81134991
2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118617

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol (CID 78954234) is 1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol is COc1cccc(C(O)CNCc2ccc(C)o2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol?
The InChIKey is MPJKVWCSBCYZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-6-7-14(19-11)9-16-10-15(17)12-4-3-5-13(8-12)18-2/h3-8,15-17H,9-10H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol?
1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol has a molecular weight of 261.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol is sourced from PubChem (CID 78954234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).