N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine

C18H18N2O — CID 114732262

IUPACN-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc2oc(-c3cncc(CNC4CC4)c3)cc2c1
InChIInChI=1S/C18H18N2O/c1-12-2-5-17-14(6-12)8-18(21-17)15-7-13(9-19-11-15)10-20-16-3-4-16/h2,5-9,11,16,20H,3-4,10H2,1H3
InChIKeyQJJVOLKLXPRVSU-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.06
Rot. Bonds4

About N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 114732262) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID114732262
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc2oc(-c3cncc(CNC4CC4)c3)cc2c1
InChIInChI=1S/C18H18N2O/c1-12-2-5-17-14(6-12)8-18(21-17)15-7-13(9-19-11-15)10-20-16-3-4-16/h2,5-9,11,16,20H,3-4,10H2,1H3
InChIKeyQJJVOLKLXPRVSU-UHFFFAOYSA-N
XLogP4.06
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
CID 114732239
N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 114732428
N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 107514144
5-[(cyclopropylamino)methyl]pyridin-3-amine
CID 117212683
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 116545369
N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 106943333
N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine
CID 103864382
N-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734538
N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 105395766
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine
CID 112755713
1-methyl-N-[(5-methyl-3-pyridinyl)methyl]azetidin-3-amine
CID 130908640
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 114732262) is N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine is Cc1ccc2oc(-c3cncc(CNC4CC4)c3)cc2c1.
What is the InChIKey of N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is QJJVOLKLXPRVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-2-5-17-14(6-12)8-18(21-17)15-7-13(9-19-11-15)10-20-16-3-4-16/h2,5-9,11,16,20H,3-4,10H2,1H3.
What are the key properties of N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 278.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114732262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).