2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine

C17H22N2O — CID 18007533

IUPAC2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2ccc(C3=CCOCC3)cc21
InChIInChI=1S/C17H22N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3
InChIKeyOWLWVIXYEWSDHM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.01
Rot. Bonds4

About 2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine

2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine (PubChem CID 18007533) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine
PubChem CID18007533
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2ccc(C3=CCOCC3)cc21
InChIInChI=1S/C17H22N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3
InChIKeyOWLWVIXYEWSDHM-UHFFFAOYSA-N
XLogP3.01
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine (CID 18007533) is 2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ccc2ccc(C3=CCOCC3)cc21.
What is the InChIKey of 2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine?
The InChIKey is OWLWVIXYEWSDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3.
What are the key properties of 2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine?
2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,6-dihydro-2H-pyran-4-yl)indol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 18007533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).