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

C18H16FNO — CID 114732131

IUPACN-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(CNC2CC2)cc1-c1cc2ccccc2o1
InChIInChI=1S/C18H16FNO/c19-16-8-5-12(11-20-14-6-7-14)9-15(16)18-10-13-3-1-2-4-17(13)21-18/h1-5,8-10,14,20H,6-7,11H2
InChIKeyVSFIOFRARMTERE-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.49
Rot. Bonds4

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

N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine (PubChem CID 114732131) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine
PubChem CID114732131
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC NameN-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine
SMILESFc1ccc(CNC2CC2)cc1-c1cc2ccccc2o1
InChIInChI=1S/C18H16FNO/c19-16-8-5-12(11-20-14-6-7-14)9-15(16)18-10-13-3-1-2-4-17(13)21-18/h1-5,8-10,14,20H,6-7,11H2
InChIKeyVSFIOFRARMTERE-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine
CID 81128764
N-[[3-(2,4-difluorophenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 61033260
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732367
N-(naphthalen-2-ylmethyl)cyclopropanamine;hydrochloride
CID 67542592
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[4-fluoro-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 103131603
N-(1-benzofuran-2-ylmethyl)cyclopentanamine
CID 28610923
N-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355
1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine
CID 114732154
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine
CID 63420419
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732546

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine (CID 114732131) is N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine is Fc1ccc(CNC2CC2)cc1-c1cc2ccccc2o1.
What is the InChIKey of N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is VSFIOFRARMTERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c19-16-8-5-12(11-20-14-6-7-14)9-15(16)18-10-13-3-1-2-4-17(13)21-18/h1-5,8-10,14,20H,6-7,11H2.
What are the key properties of N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine?
N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 281.33 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114732131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).