N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine

C15H15F2NO — CID 114377290

IUPACN-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESFc1ccc2c(C3CC3)c(CNC3CC3)oc2c1F
InChIInChI=1S/C15H15F2NO/c16-11-6-5-10-13(8-1-2-8)12(7-18-9-3-4-9)19-15(10)14(11)17/h5-6,8-9,18H,1-4,7H2
InChIKeyHPUOCXZUUVSYBF-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.84
Rot. Bonds4

About N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine

N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine (PubChem CID 114377290) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine
PubChem CID114377290
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC NameN-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESFc1ccc2c(C3CC3)c(CNC3CC3)oc2c1F
InChIInChI=1S/C15H15F2NO/c16-11-6-5-10-13(8-1-2-8)12(7-18-9-3-4-9)19-15(10)14(11)17/h5-6,8-9,18H,1-4,7H2
InChIKeyHPUOCXZUUVSYBF-UHFFFAOYSA-N
XLogP3.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 107663049
N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine
CID 114376228
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114377379
1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 114375475
N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 102990772
N-[(3-cyclopropyl-4,7-difluoro-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 114378324
N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 102990769
N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 79755784
N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376967
N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 106943314
(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
CID 114375491

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine (CID 114377290) is N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine is Fc1ccc2c(C3CC3)c(CNC3CC3)oc2c1F.
What is the InChIKey of N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine?
The InChIKey is HPUOCXZUUVSYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-11-6-5-10-13(8-1-2-8)12(7-18-9-3-4-9)19-15(10)14(11)17/h5-6,8-9,18H,1-4,7H2.
What are the key properties of N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine?
N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine has a molecular weight of 263.29 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114377290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).