1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine

C19H21NO — CID 105045456

IUPAC1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cccc(C)c2o1)c1ccc(C)cc1C
InChIInChI=1S/C19H21NO/c1-12-8-9-16(14(3)10-12)18(20-4)17-11-15-7-5-6-13(2)19(15)21-17/h5-11,18,20H,1-4H3
InChIKeyDBRVWCAKSZYONN-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.67
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine

1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105045456) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105045456
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cccc(C)c2o1)c1ccc(C)cc1C
InChIInChI=1S/C19H21NO/c1-12-8-9-16(14(3)10-12)18(20-4)17-11-15-7-5-6-13(2)19(15)21-17/h5-11,18,20H,1-4H3
InChIKeyDBRVWCAKSZYONN-UHFFFAOYSA-N
XLogP4.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114727498
1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105048549
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185509
1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 114249001
1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047461
1-(4-iodophenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045524
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(2-methyl-4-pyridinyl)methanamine
CID 106755900
1-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530
1-(2,3-dimethylphenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045109
1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105021764
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185488

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine (CID 105045456) is 1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine is CNC(c1cc2cccc(C)c2o1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is DBRVWCAKSZYONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-12-8-9-16(14(3)10-12)18(20-4)17-11-15-7-5-6-13(2)19(15)21-17/h5-11,18,20H,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine?
1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 279.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105045456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).