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

C16H21NO2 — CID 62452982

IUPACN-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COc1ccc(CC)cc1
InChIInChI=1S/C16H21NO2/c1-3-13-5-7-15(8-6-13)19-12-14-9-10-18-16(14)11-17-4-2/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyLNNIQRBDKPRGPQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.53
Rot. Bonds7

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

N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62452982) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
PubChem CID62452982
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COc1ccc(CC)cc1
InChIInChI=1S/C16H21NO2/c1-3-13-5-7-15(8-6-13)19-12-14-9-10-18-16(14)11-17-4-2/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyLNNIQRBDKPRGPQ-UHFFFAOYSA-N
XLogP3.53
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62449622
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
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[[3-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62451814
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452440
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine
CID 62548754
N-[[3-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450156
N-[[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 79407348

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine (CID 62452982) is N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine is CCNCc1occc1COc1ccc(CC)cc1.
What is the InChIKey of N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is LNNIQRBDKPRGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-13-5-7-15(8-6-13)19-12-14-9-10-18-16(14)11-17-4-2/h5-10,17H,3-4,11-12H2,1-2H3.
What are the key properties of N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62452982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).