2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol

C15H19NO4 — CID 110888253

IUPAC2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
SMILESCOc1ccc(OC)c(CNCC(O)c2ccco2)c1
InChIInChI=1S/C15H19NO4/c1-18-12-5-6-14(19-2)11(8-12)9-16-10-13(17)15-4-3-7-20-15/h3-8,13,16-17H,9-10H2,1-2H3
InChIKeyFCJDSRWWJHBRAW-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.12
Rot. Bonds7

About 2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol

2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol (PubChem CID 110888253) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
PubChem CID110888253
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
SMILESCOc1ccc(OC)c(CNCC(O)c2ccco2)c1
InChIInChI=1S/C15H19NO4/c1-18-12-5-6-14(19-2)11(8-12)9-16-10-13(17)15-4-3-7-20-15/h3-8,13,16-17H,9-10H2,1-2H3
InChIKeyFCJDSRWWJHBRAW-UHFFFAOYSA-N
XLogP2.12
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43400255
1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 110889941
1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119235
1-(furan-2-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanol
CID 106261262
1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol
CID 111118852
2-[[2-(difluoromethoxy)phenyl]methylamino]-1-(furan-2-yl)ethanol
CID 110888248
1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
CID 82532880
2-[[(2,5-dimethoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254449
1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 110898147
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol (CID 110888253) is 2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol is COc1ccc(OC)c(CNCC(O)c2ccco2)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol?
The InChIKey is FCJDSRWWJHBRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-12-5-6-14(19-2)11(8-12)9-16-10-13(17)15-4-3-7-20-15/h3-8,13,16-17H,9-10H2,1-2H3.
What are the key properties of 2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol?
2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol has a molecular weight of 277.32 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 110888253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).