N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine

C17H21NO3 — CID 54850096

IUPACN-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine
SMILESc1coc(CNCc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C17H21NO3/c1-2-8-17(21-13-16-7-4-10-20-16)14(5-1)11-18-12-15-6-3-9-19-15/h1-3,5-6,8-9,16,18H,4,7,10-13H2
InChIKeySWWYYOGVZQSGED-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.13
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine

N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine (PubChem CID 54850096) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine
PubChem CID54850096
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine
SMILESc1coc(CNCc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C17H21NO3/c1-2-8-17(21-13-16-7-4-10-20-16)14(5-1)11-18-12-15-6-3-9-19-15/h1-3,5-6,8-9,16,18H,4,7,10-13H2
InChIKeySWWYYOGVZQSGED-UHFFFAOYSA-N
XLogP3.13
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54849898
2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 54805225
2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949
2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 54807643
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 795886
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
N-(furan-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 43403599
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine
CID 54797970
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54843141
2-(oxolan-2-ylmethylperoxymethyl)furan
CID 174548710

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine (CID 54850096) is N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine is c1coc(CNCc2ccccc2OCC2CCCO2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine?
The InChIKey is SWWYYOGVZQSGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-8-17(21-13-16-7-4-10-20-16)14(5-1)11-18-12-15-6-3-9-19-15/h1-3,5-6,8-9,16,18H,4,7,10-13H2.
What are the key properties of N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine?
N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 54850096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).