N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine

C17H23NO3 — CID 106887974

IUPACN-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1ccccc1OCCOC
InChIInChI=1S/C17H23NO3/c1-3-9-18-13-17-15(8-10-20-17)14-6-4-5-7-16(14)21-12-11-19-2/h4-8,10,18H,3,9,11-13H2,1-2H3
InChIKeyQMCFUFAPDAWHBY-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.47
Rot. Bonds9

About N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine

N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 106887974) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine
PubChem CID106887974
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1ccccc1OCCOC
InChIInChI=1S/C17H23NO3/c1-3-9-18-13-17-15(8-10-20-17)14-6-4-5-7-16(14)21-12-11-19-2/h4-8,10,18H,3,9,11-13H2,1-2H3
InChIKeyQMCFUFAPDAWHBY-UHFFFAOYSA-N
XLogP3.47
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.47
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-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N-[[3-(2-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887708
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
CID 106886805
N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888317
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 43505546
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887023
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439
N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine
CID 106886915
6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine
CID 104663227
N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887842
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63008130

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine (CID 106887974) is N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1ccccc1OCCOC.
What is the InChIKey of N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is QMCFUFAPDAWHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-9-18-13-17-15(8-10-20-17)14-6-4-5-7-16(14)21-12-11-19-2/h4-8,10,18H,3,9,11-13H2,1-2H3.
What are the key properties of N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine?
N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-methoxyethoxy)phenyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106887974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).