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

C18H18FNO — CID 114746570

IUPACN-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)ccc1-c1cccc2c1OCC2
InChIInChI=1S/C18H18FNO/c19-17-10-12(11-20-14-5-6-14)4-7-15(17)16-3-1-2-13-8-9-21-18(13)16/h1-4,7,10,14,20H,5-6,8-9,11H2
InChIKeyVBCLOXITKDXNGB-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.68
Rot. Bonds4

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

N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine (PubChem CID 114746570) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine
PubChem CID114746570
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)ccc1-c1cccc2c1OCC2
InChIInChI=1S/C18H18FNO/c19-17-10-12(11-20-14-5-6-14)4-7-15(17)16-3-1-2-13-8-9-21-18(13)16/h1-4,7,10,14,20H,5-6,8-9,11H2
InChIKeyVBCLOXITKDXNGB-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine
CID 114746619
N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine
CID 114746607
N-[[3-fluoro-4-(3-fluoro-2-methylphenyl)phenyl]methyl]cyclopropanamine
CID 115502872
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 114746537
N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 82792350
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81447955
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114746624
N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 61033260
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
CID 116545362
N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888229

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine (CID 114746570) is N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine is Fc1cc(CNC2CC2)ccc1-c1cccc2c1OCC2.
What is the InChIKey of N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is VBCLOXITKDXNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-17-10-12(11-20-14-5-6-14)4-7-15(17)16-3-1-2-13-8-9-21-18(13)16/h1-4,7,10,14,20H,5-6,8-9,11H2.
What are the key properties of N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine?
N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 283.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114746570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).