1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine

C12H16N2O — CID 594939

IUPAC1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCOc1cccc2[nH]cc(CN(C)C)c12
InChIInChI=1S/C12H16N2O/c1-14(2)8-9-7-13-10-5-4-6-11(15-3)12(9)10/h4-7,13H,8H2,1-3H3
InChIKeyUTDGDGFOENJMAA-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.24
Rot. Bonds3

About 1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine

1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine (PubChem CID 594939) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
PubChem CID594939
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCOc1cccc2[nH]cc(CN(C)C)c12
InChIInChI=1S/C12H16N2O/c1-14(2)8-9-7-13-10-5-4-6-11(15-3)12(9)10/h4-7,13H,8H2,1-3H3
InChIKeyUTDGDGFOENJMAA-UHFFFAOYSA-N
XLogP2.24
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine (CID 594939) is 1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine is COc1cccc2[nH]cc(CN(C)C)c12.
What is the InChIKey of 1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is UTDGDGFOENJMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-10-5-4-6-11(15-3)12(9)10/h4-7,13H,8H2,1-3H3.
What are the key properties of 1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine?
1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 204.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 594939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).