2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine

C13H18N2O — CID 12017578

IUPAC2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCOc1cccc2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C13H18N2O/c1-15(2)8-7-10-9-14-11-5-4-6-12(16-3)13(10)11/h4-6,9,14H,7-8H2,1-3H3
InChIKeyHFYHBTWTJDAYGW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.28
Rot. Bonds4

About 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine

2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 12017578) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID12017578
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCOc1cccc2[nH]cc(CCN(C)C)c12
InChIInChI=1S/C13H18N2O/c1-15(2)8-7-10-9-14-11-5-4-6-12(16-3)13(10)11/h4-6,9,14H,7-8H2,1-3H3
InChIKeyHFYHBTWTJDAYGW-UHFFFAOYSA-N
XLogP2.28
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine (CID 12017578) is 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine is COc1cccc2[nH]cc(CCN(C)C)c12.
What is the InChIKey of 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is HFYHBTWTJDAYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15(2)8-7-10-9-14-11-5-4-6-12(16-3)13(10)11/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 12017578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).