1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine

C18H20N2O — CID 114730705

IUPAC1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCCc1cccnc1C(NC)c1cc2cccc(C)c2o1
InChIInChI=1S/C18H20N2O/c1-4-13-9-6-10-20-16(13)17(19-3)15-11-14-8-5-7-12(2)18(14)21-15/h5-11,17,19H,4H2,1-3H3
InChIKeyOZAPATSPNCIOMP-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.01
Rot. Bonds4

About 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine

1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 114730705) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID114730705
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCCc1cccnc1C(NC)c1cc2cccc(C)c2o1
InChIInChI=1S/C18H20N2O/c1-4-13-9-6-10-20-16(13)17(19-3)15-11-14-8-5-7-12(2)18(14)21-15/h5-11,17,19H,4H2,1-3H3
InChIKeyOZAPATSPNCIOMP-UHFFFAOYSA-N
XLogP4.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-2-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727223
N-[(3-bromo-2-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114730903
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(2-methyl-4-pyridinyl)methanamine
CID 106755900
1-(3,4-dimethylphenyl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 82730774
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185488
1-(3-chloro-2-pyridinyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 103444169
1-(3-chlorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 82731318
1-(4-iodophenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045524
1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045456
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185509
[(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338360
1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114727498

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine (CID 114730705) is 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine is CCc1cccnc1C(NC)c1cc2cccc(C)c2o1.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is OZAPATSPNCIOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-13-9-6-10-20-16(13)17(19-3)15-11-14-8-5-7-12(2)18(14)21-15/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 280.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114730705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).