1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine

C18H19NO2 — CID 114727498

IUPAC1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cccc(C)c2o1)c1ccccc1OC
InChIInChI=1S/C18H19NO2/c1-12-7-6-8-13-11-16(21-18(12)13)17(19-2)14-9-4-5-10-15(14)20-3/h4-11,17,19H,1-3H3
InChIKeyKTKFQNNPGVVYKE-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine

1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 114727498) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID114727498
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cccc(C)c2o1)c1ccccc1OC
InChIInChI=1S/C18H19NO2/c1-12-7-6-8-13-11-16(21-18(12)13)17(19-2)14-9-4-5-10-15(14)20-3/h4-11,17,19H,1-3H3
InChIKeyKTKFQNNPGVVYKE-UHFFFAOYSA-N
XLogP4.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethylfuran-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 114249002
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
1-(4-iodophenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045524
1-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530
1-(1-benzofuran-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63089905
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(2-methyl-4-pyridinyl)methanamine
CID 106755900
(2-ethoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723269
[(7-methyl-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105268934
1-(2,4-dimethylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482690
[(6-methoxypyridazin-3-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 103375494
1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142543

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine (CID 114727498) is 1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine is CNC(c1cc2cccc(C)c2o1)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is KTKFQNNPGVVYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-7-6-8-13-11-16(21-18(12)13)17(19-2)14-9-4-5-10-15(14)20-3/h4-11,17,19H,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 281.36 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 1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114727498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).