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

C15H18FNO2 — CID 62460294

IUPACN-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1COc1cccc(F)c1
InChIInChI=1S/C15H18FNO2/c1-2-7-17-10-12-6-8-18-15(12)11-19-14-5-3-4-13(16)9-14/h3-6,8-9,17H,2,7,10-11H2,1H3
InChIKeyNPSTWVWLBPUBLR-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.50
Rot. Bonds7

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

N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62460294) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62460294
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1COc1cccc(F)c1
InChIInChI=1S/C15H18FNO2/c1-2-7-17-10-12-6-8-18-15(12)11-19-14-5-3-4-13(16)9-14/h3-6,8-9,17H,2,7,10-11H2,1H3
InChIKeyNPSTWVWLBPUBLR-UHFFFAOYSA-N
XLogP3.50
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.50
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-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62460473
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452706
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
N-[[2-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 63647733
1-[2-[(3-ethoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62441796
N-[[2-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 63497826
N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62484329
N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283339
N-[[2-[(2,5-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 63273237
N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62449654
N-[[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 65125350
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 66226372

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine (CID 62460294) is N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1ccoc1COc1cccc(F)c1.
What is the InChIKey of N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is NPSTWVWLBPUBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-2-7-17-10-12-6-8-18-15(12)11-19-14-5-3-4-13(16)9-14/h3-6,8-9,17H,2,7,10-11H2,1H3.
What are the key properties of N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62460294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).