N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine

C15H19NO2 — CID 62449622

IUPACN-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COc1ccc(C)cc1
InChIInChI=1S/C15H19NO2/c1-3-16-10-15-13(8-9-17-15)11-18-14-6-4-12(2)5-7-14/h4-9,16H,3,10-11H2,1-2H3
InChIKeyGAHRFGKIPUJSOX-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.28
Rot. Bonds6

About N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine

N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62449622) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
PubChem CID62449622
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COc1ccc(C)cc1
InChIInChI=1S/C15H19NO2/c1-3-16-10-15-13(8-9-17-15)11-18-14-6-4-12(2)5-7-14/h4-9,16H,3,10-11H2,1-2H3
InChIKeyGAHRFGKIPUJSOX-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-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452982
N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453896
N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62486443
N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62459058
2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451256
N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452440
N-[[3-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62451814
N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 81341598
N-[[5-methyl-4-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 80728494
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452706
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
N-[[3-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450156

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine (CID 62449622) is N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine is CCNCc1occc1COc1ccc(C)cc1.
What is the InChIKey of N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is GAHRFGKIPUJSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-16-10-15-13(8-9-17-15)11-18-14-6-4-12(2)5-7-14/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
N-[[3-[(4-methylphenoxy)methyl]furan-2-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-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62449622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).