N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine

C16H14ClNO2 — CID 106888176

IUPACN-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine
SMILESClc1ccc2oc(-c3ccc(CNC4CC4)o3)cc2c1
InChIInChI=1S/C16H14ClNO2/c17-11-1-5-14-10(7-11)8-16(20-14)15-6-4-13(19-15)9-18-12-2-3-12/h1,4-8,12,18H,2-3,9H2
InChIKeyHGDMHLUXNNPWHS-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.60
Rot. Bonds4

About N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106888176) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106888176
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine
SMILESClc1ccc2oc(-c3ccc(CNC4CC4)o3)cc2c1
InChIInChI=1S/C16H14ClNO2/c17-11-1-5-14-10(7-11)8-16(20-14)15-6-4-13(19-15)9-18-12-2-3-12/h1,4-8,12,18H,2-3,9H2
InChIKeyHGDMHLUXNNPWHS-UHFFFAOYSA-N
XLogP4.60
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]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

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine (CID 106888176) is N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine is Clc1ccc2oc(-c3ccc(CNC4CC4)o3)cc2c1.
What is the InChIKey of N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is HGDMHLUXNNPWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-11-1-5-14-10(7-11)8-16(20-14)15-6-4-13(19-15)9-18-12-2-3-12/h1,4-8,12,18H,2-3,9H2.
What are the key properties of N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 287.75 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106888176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).