N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine

C18H22N2O — CID 50963961

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine
SMILESCC(Cc1ccccn1)N(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C18H22N2O/c1-14(11-17-5-3-4-9-19-17)20(2)13-15-6-7-18-16(12-15)8-10-21-18/h3-7,9,12,14H,8,10-11,13H2,1-2H3
InChIKeyDSIGDMXGDKVQSA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.08
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine (PubChem CID 50963961) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine
PubChem CID50963961
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine
SMILESCC(Cc1ccccn1)N(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C18H22N2O/c1-14(11-17-5-3-4-9-19-17)20(2)13-15-6-7-18-16(12-15)8-10-21-18/h3-7,9,12,14H,8,10-11,13H2,1-2H3
InChIKeyDSIGDMXGDKVQSA-UHFFFAOYSA-N
XLogP3.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine (CID 50963961) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine is CC(Cc1ccccn1)N(C)Cc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine?
The InChIKey is DSIGDMXGDKVQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(11-17-5-3-4-9-19-17)20(2)13-15-6-7-18-16(12-15)8-10-21-18/h3-7,9,12,14H,8,10-11,13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 50963961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).