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

C18H17NO2 — CID 65440151

IUPACN-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESc1ccc(Oc2ccc3oc(CNC4CC4)cc3c2)cc1
InChIInChI=1S/C18H17NO2/c1-2-4-15(5-3-1)20-16-8-9-18-13(10-16)11-17(21-18)12-19-14-6-7-14/h1-5,8-11,14,19H,6-7,12H2
InChIKeySXAAQAYMFSIDNG-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.48
Rot. Bonds5

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

N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine (PubChem CID 65440151) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine
PubChem CID65440151
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESc1ccc(Oc2ccc3oc(CNC4CC4)cc3c2)cc1
InChIInChI=1S/C18H17NO2/c1-2-4-15(5-3-1)20-16-8-9-18-13(10-16)11-17(21-18)12-19-14-6-7-14/h1-5,8-11,14,19H,6-7,12H2
InChIKeySXAAQAYMFSIDNG-UHFFFAOYSA-N
XLogP4.48
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine (CID 65440151) is N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine is c1ccc(Oc2ccc3oc(CNC4CC4)cc3c2)cc1.
What is the InChIKey of N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine?
The InChIKey is SXAAQAYMFSIDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-4-15(5-3-1)20-16-8-9-18-13(10-16)11-17(21-18)12-19-14-6-7-14/h1-5,8-11,14,19H,6-7,12H2.
What are the key properties of N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine?
N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine has a molecular weight of 279.34 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 65440151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).