N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine

C15H17F2NO — CID 114377379

IUPACN-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)oc2c(F)ccc(F)c12
InChIInChI=1S/C15H17F2NO/c1-2-3-10-13(8-18-9-4-5-9)19-15-12(17)7-6-11(16)14(10)15/h6-7,9,18H,2-5,8H2,1H3
InChIKeyKQGFMZOEMXAEED-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.92
Rot. Bonds5

About N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine

N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine (PubChem CID 114377379) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
PubChem CID114377379
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC NameN-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)oc2c(F)ccc(F)c12
InChIInChI=1S/C15H17F2NO/c1-2-3-10-13(8-18-9-4-5-9)19-15-12(17)7-6-11(16)14(10)15/h6-7,9,18H,2-5,8H2,1H3
InChIKeyKQGFMZOEMXAEED-UHFFFAOYSA-N
XLogP3.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 102990772
N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 102990769
N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114376722
N-[(5-bromo-4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 107662996
N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114375304
N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114377290
N-[[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 107663049
N-[[2-fluoro-5-(4-propylphenyl)phenyl]methyl]cyclopropanamine
CID 63424721
1-(3-ethyl-7-fluoro-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843187
N-[[4,6-difluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114377249
N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106886738
N-[(7-chloro-3-ethyl-5-methyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 113459857

Frequently Asked Questions

What is the IUPAC name of N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine (CID 114377379) is N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine is CCCc1c(CNC2CC2)oc2c(F)ccc(F)c12.
What is the InChIKey of N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The InChIKey is KQGFMZOEMXAEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-2-3-10-13(8-18-9-4-5-9)19-15-12(17)7-6-11(16)14(10)15/h6-7,9,18H,2-5,8H2,1H3.
What are the key properties of N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine has a molecular weight of 265.30 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114377379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).