N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine

C17H19NO2 — CID 10017998

IUPACN-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine
SMILESCN(CCOc1ccccc1)C1Cc2ccccc2O1
InChIInChI=1S/C17H19NO2/c1-18(11-12-19-15-8-3-2-4-9-15)17-13-14-7-5-6-10-16(14)20-17/h2-10,17H,11-13H2,1H3
InChIKeyGOEUSEQSAHSEML-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.96
Rot. Bonds5

About N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine

N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine (PubChem CID 10017998) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine
PubChem CID10017998
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine
SMILESCN(CCOc1ccccc1)C1Cc2ccccc2O1
InChIInChI=1S/C17H19NO2/c1-18(11-12-19-15-8-3-2-4-9-15)17-13-14-7-5-6-10-16(14)20-17/h2-10,17H,11-13H2,1H3
InChIKeyGOEUSEQSAHSEML-UHFFFAOYSA-N
XLogP2.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine (CID 10017998) is N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine is CN(CCOc1ccccc1)C1Cc2ccccc2O1.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine?
The InChIKey is GOEUSEQSAHSEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18(11-12-19-15-8-3-2-4-9-15)17-13-14-7-5-6-10-16(14)20-17/h2-10,17H,11-13H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine?
N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine has a molecular weight of 269.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-2,3-dihydro-1-benzofuran-2-amine is sourced from PubChem (CID 10017998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).