N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C17H19NO — CID 11964052

IUPACN-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCNCC1Cc2cccc(-c3ccc(C)cc3)c2O1
InChIInChI=1S/C17H19NO/c1-12-6-8-13(9-7-12)16-5-3-4-14-10-15(11-18-2)19-17(14)16/h3-9,15,18H,10-11H2,1-2H3
InChIKeyRWASTUWOLFPDLN-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.18
Rot. Bonds3

About N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11964052) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11964052
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCNCC1Cc2cccc(-c3ccc(C)cc3)c2O1
InChIInChI=1S/C17H19NO/c1-12-6-8-13(9-7-12)16-5-3-4-14-10-15(11-18-2)19-17(14)16/h3-9,15,18H,10-11H2,1-2H3
InChIKeyRWASTUWOLFPDLN-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11964052) is N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is CNCC1Cc2cccc(-c3ccc(C)cc3)c2O1.
What is the InChIKey of N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is RWASTUWOLFPDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-6-8-13(9-7-12)16-5-3-4-14-10-15(11-18-2)19-17(14)16/h3-9,15,18H,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11964052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).