N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine

C18H16ClNO — CID 65440163

IUPACN-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESClc1cc(-c2ccccc2)cc2cc(CNC3CC3)oc12
InChIInChI=1S/C18H16ClNO/c19-17-10-13(12-4-2-1-3-5-12)8-14-9-16(21-18(14)17)11-20-15-6-7-15/h1-5,8-10,15,20H,6-7,11H2
InChIKeyIPDQPABAOIBZTC-UHFFFAOYSA-N
MW297.79 g/mol
LogP5.01
Rot. Bonds4

About N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine

N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine (PubChem CID 65440163) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine
PubChem CID65440163
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC NameN-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESClc1cc(-c2ccccc2)cc2cc(CNC3CC3)oc12
InChIInChI=1S/C18H16ClNO/c19-17-10-13(12-4-2-1-3-5-12)8-14-9-16(21-18(14)17)11-20-15-6-7-15/h1-5,8-10,15,20H,6-7,11H2
InChIKeyIPDQPABAOIBZTC-UHFFFAOYSA-N
XLogP5.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine (CID 65440163) is N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine is Clc1cc(-c2ccccc2)cc2cc(CNC3CC3)oc12.
What is the InChIKey of N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The InChIKey is IPDQPABAOIBZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-17-10-13(12-4-2-1-3-5-12)8-14-9-16(21-18(14)17)11-20-15-6-7-15/h1-5,8-10,15,20H,6-7,11H2.
What are the key properties of N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine has a molecular weight of 297.79 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-5-phenyl-1-benzofuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 65440163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).