2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine

C19H22N2O — CID 6918515

IUPAC2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(CCN(C)C)c2c1
InChIInChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
InChIKeyVSGPGYWZVPDDSK-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.95
Rot. Bonds5

About 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine

2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 6918515) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID6918515
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(CCN(C)C)c2c1
InChIInChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
InChIKeyVSGPGYWZVPDDSK-UHFFFAOYSA-N
XLogP3.95
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine (CID 6918515) is 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine is COc1ccc2[nH]c(-c3ccccc3)c(CCN(C)C)c2c1.
What is the InChIKey of 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is VSGPGYWZVPDDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 294.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 6918515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).