N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine

C16H21NO3 — CID 62598072

IUPACN-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine
SMILESCOCCc1ccc(OCCNCc2ccoc2)cc1
InChIInChI=1S/C16H21NO3/c1-18-9-6-14-2-4-16(5-3-14)20-11-8-17-12-15-7-10-19-13-15/h2-5,7,10,13,17H,6,8-9,11-12H2,1H3
InChIKeyZPEZLCRZUPHSNW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.64
Rot. Bonds9

About N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine

N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine (PubChem CID 62598072) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine
PubChem CID62598072
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine
SMILESCOCCc1ccc(OCCNCc2ccoc2)cc1
InChIInChI=1S/C16H21NO3/c1-18-9-6-14-2-4-16(5-3-14)20-11-8-17-12-15-7-10-19-13-15/h2-5,7,10,13,17H,6,8-9,11-12H2,1H3
InChIKeyZPEZLCRZUPHSNW-UHFFFAOYSA-N
XLogP2.64
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid
CID 103267862
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]propan-2-amine
CID 14694037
2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62597904
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine
CID 55093446
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62597043
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62598944
3-ethoxy-N-(furan-3-ylmethyl)propan-1-amine
CID 62997867
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine (CID 62598072) is N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine is COCCc1ccc(OCCNCc2ccoc2)cc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine?
The InChIKey is ZPEZLCRZUPHSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-18-9-6-14-2-4-16(5-3-14)20-11-8-17-12-15-7-10-19-13-15/h2-5,7,10,13,17H,6,8-9,11-12H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine?
N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine is sourced from PubChem (CID 62598072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).