2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol

C15H19NO3 — CID 111468637

IUPAC2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
SMILESCOc1ccc(CNCC(C)(O)c2ccco2)cc1
InChIInChI=1S/C15H19NO3/c1-15(17,14-4-3-9-19-14)11-16-10-12-5-7-13(18-2)8-6-12/h3-9,16-17H,10-11H2,1-2H3
InChIKeyTXCDHGVTXSLEHW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.29
Rot. Bonds6

About 2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol

2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol (PubChem CID 111468637) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
PubChem CID111468637
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
SMILESCOc1ccc(CNCC(C)(O)c2ccco2)cc1
InChIInChI=1S/C15H19NO3/c1-15(17,14-4-3-9-19-14)11-16-10-12-5-7-13(18-2)8-6-12/h3-9,16-17H,10-11H2,1-2H3
InChIKeyTXCDHGVTXSLEHW-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol
CID 111468727
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111511753
1-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468690
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468736
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
1-[(3-chloro-4-prop-2-enoxyphenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468776
2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol
CID 111468628
2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
CID 111468723
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 104643690
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111672590
1-(furan-2-yl)-1-(4-methoxyphenyl)prop-2-yn-1-ol
CID 59942989

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol (CID 111468637) is 2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol is COc1ccc(CNCC(C)(O)c2ccco2)cc1.
What is the InChIKey of 2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol?
The InChIKey is TXCDHGVTXSLEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(17,14-4-3-9-19-14)11-16-10-12-5-7-13(18-2)8-6-12/h3-9,16-17H,10-11H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol?
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 111468637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).