N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine

C18H20N2O — CID 82731871

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
SMILESCCc1cccnc1CNCc1c(C)oc2ccccc12
InChIInChI=1S/C18H20N2O/c1-3-14-7-6-10-20-17(14)12-19-11-16-13(2)21-18-9-5-4-8-15(16)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyARTNUVIYWVBXTQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.99
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine

N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine (PubChem CID 82731871) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
PubChem CID82731871
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
SMILESCCc1cccnc1CNCc1c(C)oc2ccccc12
InChIInChI=1S/C18H20N2O/c1-3-14-7-6-10-20-17(14)12-19-11-16-13(2)21-18-9-5-4-8-15(16)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyARTNUVIYWVBXTQ-UHFFFAOYSA-N
XLogP3.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733516
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
CID 114955011
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine
CID 167842382
1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732596
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
CID 107230098
N-[(3-ethyl-2-pyridinyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 102881002
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 113462728
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine (CID 82731871) is N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine is CCc1cccnc1CNCc1c(C)oc2ccccc12.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine?
The InChIKey is ARTNUVIYWVBXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-14-7-6-10-20-17(14)12-19-11-16-13(2)21-18-9-5-4-8-15(16)18/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine?
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine has a molecular weight of 280.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 82731871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).