3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol

C15H19NO2 — CID 91833366

IUPAC3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol
SMILESCN(CCCc1ccco1)Cc1cccc(O)c1
InChIInChI=1S/C15H19NO2/c1-16(9-3-7-15-8-4-10-18-15)12-13-5-2-6-14(17)11-13/h2,4-6,8,10-11,17H,3,7,9,12H2,1H3
InChIKeyOKTHKKYMAJVDPU-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.05
Rot. Bonds6

About 3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol

3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol (PubChem CID 91833366) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol
PubChem CID91833366
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol
SMILESCN(CCCc1ccco1)Cc1cccc(O)c1
InChIInChI=1S/C15H19NO2/c1-16(9-3-7-15-8-4-10-18-15)12-13-5-2-6-14(17)11-13/h2,4-6,8,10-11,17H,3,7,9,12H2,1H3
InChIKeyOKTHKKYMAJVDPU-UHFFFAOYSA-N
XLogP3.05
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 79672837
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol
CID 71176034
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
N-[3-(3-chlorophenyl)propyl]-N-[3-(furan-2-yl)propyl]methanesulfonamide
CID 141000423
2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932
1-[3-[benzyl(methyl)amino]propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111354837
N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 55084972
(3S)-1-(furan-2-ylmethyl)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998484
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine
CID 113409228
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol?
The IUPAC name of 3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol (CID 91833366) is 3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol.
What is the SMILES notation for 3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol?
The canonical SMILES for 3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol is CN(CCCc1ccco1)Cc1cccc(O)c1.
What is the InChIKey of 3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol?
The InChIKey is OKTHKKYMAJVDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16(9-3-7-15-8-4-10-18-15)12-13-5-2-6-14(17)11-13/h2,4-6,8,10-11,17H,3,7,9,12H2,1H3.
What are the key properties of 3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol?
3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol has a molecular weight of 245.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol is sourced from PubChem (CID 91833366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).