6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine

C14H22N2O2 — CID 114524835

IUPAC6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(OCCCN(C)C)ccc21
InChIInChI=1S/C14H22N2O2/c1-15-13-10-18-14-9-11(5-6-12(13)14)17-8-4-7-16(2)3/h5-6,9,13,15H,4,7-8,10H2,1-3H3
InChIKeyKLTOBEHAFJLUIB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.67
Rot. Bonds6

About 6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine

6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 114524835) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID114524835
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(OCCCN(C)C)ccc21
InChIInChI=1S/C14H22N2O2/c1-15-13-10-18-14-9-11(5-6-12(13)14)17-8-4-7-16(2)3/h5-6,9,13,15H,4,7-8,10H2,1-3H3
InChIKeyKLTOBEHAFJLUIB-UHFFFAOYSA-N
XLogP1.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 114524835) is 6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine is CNC1COc2cc(OCCCN(C)C)ccc21.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is KLTOBEHAFJLUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-13-10-18-14-9-11(5-6-12(13)14)17-8-4-7-16(2)3/h5-6,9,13,15H,4,7-8,10H2,1-3H3.
What are the key properties of 6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 250.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 114524835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).