1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine

C17H19NO — CID 63020408

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccc2c(c1)COC2)c1ccccc1C
InChIInChI=1S/C17H19NO/c1-12-5-3-4-6-16(12)17(18-2)13-7-8-14-10-19-11-15(14)9-13/h3-9,17-18H,10-11H2,1-2H3
InChIKeyVPIXXGULBMMODG-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.33
Rot. Bonds3

About 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine

1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine (PubChem CID 63020408) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine
PubChem CID63020408
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccc2c(c1)COC2)c1ccccc1C
InChIInChI=1S/C17H19NO/c1-12-5-3-4-6-16(12)17(18-2)13-7-8-14-10-19-11-15(14)9-13/h3-9,17-18H,10-11H2,1-2H3
InChIKeyVPIXXGULBMMODG-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-methylphenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107982028
1-(2,3-difluoro-4-methylphenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107515480
1-(1-benzothiophen-7-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 105021849
1-(2,4-dibromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107950588
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65153328
1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 63018999
1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 105010610
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63186146
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997
5-[bromo-(2,3-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63021319
1-(3-chloro-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 82875403
1-(3-bromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 60819031

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine (CID 63020408) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine is CNC(c1ccc2c(c1)COC2)c1ccccc1C.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The InChIKey is VPIXXGULBMMODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-5-3-4-6-16(12)17(18-2)13-7-8-14-10-19-11-15(14)9-13/h3-9,17-18H,10-11H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 63020408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).