N-benzyl-2-(furan-2-ylmethoxy)ethanamine

C14H17NO2 — CID 62564992

IUPACN-benzyl-2-(furan-2-ylmethoxy)ethanamine
SMILESc1ccc(CNCCOCc2ccco2)cc1
InChIInChI=1S/C14H17NO2/c1-2-5-13(6-3-1)11-15-8-10-16-12-14-7-4-9-17-14/h1-7,9,15H,8,10-12H2
InChIKeyKHDCKSHXOTVDFI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.59
Rot. Bonds7

About N-benzyl-2-(furan-2-ylmethoxy)ethanamine

N-benzyl-2-(furan-2-ylmethoxy)ethanamine (PubChem CID 62564992) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-benzyl-2-(furan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(furan-2-ylmethoxy)ethanamine
PubChem CID62564992
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-benzyl-2-(furan-2-ylmethoxy)ethanamine
SMILESc1ccc(CNCCOCc2ccco2)cc1
InChIInChI=1S/C14H17NO2/c1-2-5-13(6-3-1)11-15-8-10-16-12-14-7-4-9-17-14/h1-7,9,15H,8,10-12H2
InChIKeyKHDCKSHXOTVDFI-UHFFFAOYSA-N
XLogP2.59
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-ylmethoxy)ethyl]-2-methoxyethanamine
CID 62565000
N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine
CID 62565568
3-(furan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28681171
N-[2-(furan-2-ylmethoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62565570
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
CID 17451443
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2995197
2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
CID 79832671
3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide
CID 60976249
1-(furan-2-yl)-N-phenylmethoxymethanamine
CID 82709159
N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63936379

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(furan-2-ylmethoxy)ethanamine?
The IUPAC name of N-benzyl-2-(furan-2-ylmethoxy)ethanamine (CID 62564992) is N-benzyl-2-(furan-2-ylmethoxy)ethanamine.
What is the SMILES notation for N-benzyl-2-(furan-2-ylmethoxy)ethanamine?
The canonical SMILES for N-benzyl-2-(furan-2-ylmethoxy)ethanamine is c1ccc(CNCCOCc2ccco2)cc1.
What is the InChIKey of N-benzyl-2-(furan-2-ylmethoxy)ethanamine?
The InChIKey is KHDCKSHXOTVDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-5-13(6-3-1)11-15-8-10-16-12-14-7-4-9-17-14/h1-7,9,15H,8,10-12H2.
What are the key properties of N-benzyl-2-(furan-2-ylmethoxy)ethanamine?
N-benzyl-2-(furan-2-ylmethoxy)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(furan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 62564992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).