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

C18H21NO2 — CID 65429354

IUPAC1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO2/c1-19-13-16-4-2-3-5-17(16)20-10-8-14-6-7-18-15(12-14)9-11-21-18/h2-7,12,19H,8-11,13H2,1H3
InChIKeyJNALTUAEAHNQRA-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.96
Rot. Bonds6

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

1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 65429354) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID65429354
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO2/c1-19-13-16-4-2-3-5-17(16)20-10-8-14-6-7-18-15(12-14)9-11-21-18/h2-7,12,19H,8-11,13H2,1H3
InChIKeyJNALTUAEAHNQRA-UHFFFAOYSA-N
XLogP2.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65447152
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
5-[2-[4-bromo-2-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65445258
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806591
5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107098626
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde
CID 65444666
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine
CID 115952093
3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide
CID 119934663
4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 103009282
5-[2-[2-(bromomethyl)-6-chlorophenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 115956716

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine (CID 65429354) is 1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccccc1OCCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is JNALTUAEAHNQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19-13-16-4-2-3-5-17(16)20-10-8-14-6-7-18-15(12-14)9-11-21-18/h2-7,12,19H,8-11,13H2,1H3.
What are the key properties of 1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 283.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 65429354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).