3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline

C18H22N2O — CID 105189391

IUPAC3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline
SMILESCNC(c1cccc(N(C)C)c1)c1cccc2c1OCC2
InChIInChI=1S/C18H22N2O/c1-19-17(14-7-4-8-15(12-14)20(2)3)16-9-5-6-13-10-11-21-18(13)16/h4-9,12,17,19H,10-11H2,1-3H3
InChIKeyHRPNMASWZNMDMV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.00
Rot. Bonds4

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

3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline (PubChem CID 105189391) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline
PubChem CID105189391
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline
SMILESCNC(c1cccc(N(C)C)c1)c1cccc2c1OCC2
InChIInChI=1S/C18H22N2O/c1-19-17(14-7-4-8-15(12-14)20(2)3)16-9-5-6-13-10-11-21-18(13)16/h4-9,12,17,19H,10-11H2,1-3H3
InChIKeyHRPNMASWZNMDMV-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline 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

4-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline
CID 105189461
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 105189432
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114745069
1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107946952
1-(4-bromo-2-methylphenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053222
1-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440
1-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053193
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 114745874
N-[(3-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 114744933
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 104541669
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105189498

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline (CID 105189391) is 3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline is CNC(c1cccc(N(C)C)c1)c1cccc2c1OCC2.
What is the InChIKey of 3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline?
The InChIKey is HRPNMASWZNMDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-19-17(14-7-4-8-15(12-14)20(2)3)16-9-5-6-13-10-11-21-18(13)16/h4-9,12,17,19H,10-11H2,1-3H3.
What are the key properties of 3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline?
3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline has a molecular weight of 282.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105189391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).