N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine

C15H19NO2 — CID 62452706

IUPACN-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COc1cccc(C)c1
InChIInChI=1S/C15H19NO2/c1-3-16-10-13-7-8-17-15(13)11-18-14-6-4-5-12(2)9-14/h4-9,16H,3,10-11H2,1-2H3
InChIKeyVLUDAJBOLZYHEP-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.28
Rot. Bonds6

About N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine

N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 62452706) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
PubChem CID62452706
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COc1cccc(C)c1
InChIInChI=1S/C15H19NO2/c1-3-16-10-13-7-8-17-15(13)11-18-14-6-4-5-12(2)9-14/h4-9,16H,3,10-11H2,1-2H3
InChIKeyVLUDAJBOLZYHEP-UHFFFAOYSA-N
XLogP3.28
TPSA34.40 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62452883
N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62484329
N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62460294
1-[2-[(3-ethoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62441796
N-[[2-(quinolin-3-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 107387788
1-[2-[(3,5-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452698
N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62460473
N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62449622
N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452007
N-[[3-bromo-4-[(3-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 102773019
N-[[2-[(2,5-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 63273237
N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62449654

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine (CID 62452706) is N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine is CCNCc1ccoc1COc1cccc(C)c1.
What is the InChIKey of N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is VLUDAJBOLZYHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-16-10-13-7-8-17-15(13)11-18-14-6-4-5-12(2)9-14/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 245.32 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62452706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).