N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine

C15H17F2NO2 — CID 106888520

IUPACN-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2c(F)cc(OC)cc2F)o1
InChIInChI=1S/C15H17F2NO2/c1-3-6-18-9-10-4-5-14(20-10)15-12(16)7-11(19-2)8-13(15)17/h4-5,7-8,18H,3,6,9H2,1-2H3
InChIKeySYODVPDLVQKCTA-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.73
Rot. Bonds6

About N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine

N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106888520) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID106888520
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC NameN-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2c(F)cc(OC)cc2F)o1
InChIInChI=1S/C15H17F2NO2/c1-3-6-18-9-10-4-5-14(20-10)15-12(16)7-11(19-2)8-13(15)17/h4-5,7-8,18H,3,6,9H2,1-2H3
InChIKeySYODVPDLVQKCTA-UHFFFAOYSA-N
XLogP3.73
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.73
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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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine (CID 106888520) is N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2c(F)cc(OC)cc2F)o1.
What is the InChIKey of N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is SYODVPDLVQKCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c1-3-6-18-9-10-4-5-14(20-10)15-12(16)7-11(19-2)8-13(15)17/h4-5,7-8,18H,3,6,9H2,1-2H3.
What are the key properties of N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine?
N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 281.30 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-difluoro-4-methoxyphenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106888520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).