1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine

C18H21NO2 — CID 61033301

IUPAC1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc3c(c2)CC(C)O3)ccc1OC
InChIInChI=1S/C18H21NO2/c1-12-8-15-9-13(5-7-18(15)21-12)14-4-6-17(20-3)16(10-14)11-19-2/h4-7,9-10,12,19H,8,11H2,1-3H3
InChIKeyMNJVUUFACFSKPV-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.40
Rot. Bonds4

About 1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine

1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine (PubChem CID 61033301) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine
PubChem CID61033301
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc3c(c2)CC(C)O3)ccc1OC
InChIInChI=1S/C18H21NO2/c1-12-8-15-9-13(5-7-18(15)21-12)14-4-6-17(20-3)16(10-14)11-19-2/h4-7,9-10,12,19H,8,11H2,1-3H3
InChIKeyMNJVUUFACFSKPV-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine (CID 61033301) is 1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine is CNCc1cc(-c2ccc3c(c2)CC(C)O3)ccc1OC.
What is the InChIKey of 1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine?
The InChIKey is MNJVUUFACFSKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-8-15-9-13(5-7-18(15)21-12)14-4-6-17(20-3)16(10-14)11-19-2/h4-7,9-10,12,19H,8,11H2,1-3H3.
What are the key properties of 1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine?
1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine has a molecular weight of 283.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61033301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).