2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol

C15H19NO3 — CID 82314231

IUPAC2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(C(O)C(C)NCc2ccco2)c1
InChIInChI=1S/C15H19NO3/c1-11(16-10-14-7-4-8-19-14)15(17)12-5-3-6-13(9-12)18-2/h3-9,11,15-17H,10H2,1-2H3
InChIKeyWPBNCXYABQLKDT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.50
Rot. Bonds6

About 2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol

2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol (PubChem CID 82314231) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol
PubChem CID82314231
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(C(O)C(C)NCc2ccco2)c1
InChIInChI=1S/C15H19NO3/c1-11(16-10-14-7-4-8-19-14)15(17)12-5-3-6-13(9-12)18-2/h3-9,11,15-17H,10H2,1-2H3
InChIKeyWPBNCXYABQLKDT-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313778
1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
CID 82312968
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
(1S)-N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 94193703
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 54863619
N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 42704052
1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one
CID 82101102

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol (CID 82314231) is 2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol is COc1cccc(C(O)C(C)NCc2ccco2)c1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol?
The InChIKey is WPBNCXYABQLKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(16-10-14-7-4-8-19-14)15(17)12-5-3-6-13(9-12)18-2/h3-9,11,15-17H,10H2,1-2H3.
What are the key properties of 2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol?
2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol has a molecular weight of 261.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 82314231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).