N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine

C16H19F2NO2 — CID 63036291

IUPACN-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COc2cccc(F)c2F)oc1C
InChIInChI=1S/C16H19F2NO2/c1-3-7-19-9-12-8-13(21-11(12)2)10-20-15-6-4-5-14(17)16(15)18/h4-6,8,19H,3,7,9-10H2,1-2H3
InChIKeyKNBPMIZFOJJZTH-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.94
Rot. Bonds7

About N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine

N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine (PubChem CID 63036291) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
PubChem CID63036291
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COc2cccc(F)c2F)oc1C
InChIInChI=1S/C16H19F2NO2/c1-3-7-19-9-12-8-13(21-11(12)2)10-20-15-6-4-5-14(17)16(15)18/h4-6,8,19H,3,7,9-10H2,1-2H3
InChIKeyKNBPMIZFOJJZTH-UHFFFAOYSA-N
XLogP3.94
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.94
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-[[5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 102986614
N-[[5-[(2,3-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62454363
N-[[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62452838
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63496240
N-[[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62454511
N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62453245
N-[[4-[(2,3-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62453502
N-[[5-methyl-4-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453613
N-[[4-[(2,3-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 63490951
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908315
N-[[2-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62441237
N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62454234

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine (CID 63036291) is N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine is CCCNCc1cc(COc2cccc(F)c2F)oc1C.
What is the InChIKey of N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine?
The InChIKey is KNBPMIZFOJJZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-3-7-19-9-12-8-13(21-11(12)2)10-20-15-6-4-5-14(17)16(15)18/h4-6,8,19H,3,7,9-10H2,1-2H3.
What are the key properties of N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine?
N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine has a molecular weight of 295.33 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63036291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).