2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine

C13H18N2O — CID 83173897

IUPAC2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
SMILESCOc1cccc2c1ccn2CCN(C)C
InChIInChI=1S/C13H18N2O/c1-14(2)9-10-15-8-7-11-12(15)5-4-6-13(11)16-3/h4-8H,9-10H2,1-3H3
InChIKeyHTPWGWFKAPTPHN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.21
Rot. Bonds4

About 2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine

2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine (PubChem CID 83173897) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
PubChem CID83173897
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
SMILESCOc1cccc2c1ccn2CCN(C)C
InChIInChI=1S/C13H18N2O/c1-14(2)9-10-15-8-7-11-12(15)5-4-6-13(11)16-3/h4-8H,9-10H2,1-3H3
InChIKeyHTPWGWFKAPTPHN-UHFFFAOYSA-N
XLogP2.21
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-heptyl-4-methoxyindole
CID 83174164
4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
CID 83173718
N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine
CID 84571792
1-[(E)-but-2-enyl]-4-methoxyindole
CID 83173712
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
1-(2-tert-butylsulfonylethyl)-4-methoxyindole
CID 106731603
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
CID 83162754

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine (CID 83173897) is 2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine is COc1cccc2c1ccn2CCN(C)C.
What is the InChIKey of 2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine?
The InChIKey is HTPWGWFKAPTPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-14(2)9-10-15-8-7-11-12(15)5-4-6-13(11)16-3/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine?
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 83173897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).