N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine

C17H19NO — CID 114746594

IUPACN-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-c1cccc2c1OCC2
InChIInChI=1S/C17H19NO/c1-2-18-12-14-6-3-4-8-15(14)16-9-5-7-13-10-11-19-17(13)16/h3-9,18H,2,10-12H2,1H3
InChIKeyLPJLVLFLUUBQJR-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.40
Rot. Bonds4

About N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine

N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine (PubChem CID 114746594) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine
PubChem CID114746594
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1-c1cccc2c1OCC2
InChIInChI=1S/C17H19NO/c1-2-18-12-14-6-3-4-8-15(14)16-9-5-7-13-10-11-19-17(13)16/h3-9,18H,2,10-12H2,1H3
InChIKeyLPJLVLFLUUBQJR-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine (CID 114746594) is N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine is CCNCc1ccccc1-c1cccc2c1OCC2.
What is the InChIKey of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine?
The InChIKey is LPJLVLFLUUBQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-18-12-14-6-3-4-8-15(14)16-9-5-7-13-10-11-19-17(13)16/h3-9,18H,2,10-12H2,1H3.
What are the key properties of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine?
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114746594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).