2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine

C21H26N2O — CID 3028951

IUPAC2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2CCc1ccccc1
InChIInChI=1S/C21H26N2O/c1-22(2)13-12-18-16-23(14-11-17-7-5-4-6-8-17)21-10-9-19(24-3)15-20(18)21/h4-10,15-16H,11-14H2,1-3H3
InChIKeyFAPVNSHGIRRGPX-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.00
Rot. Bonds7

About 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine

2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine (PubChem CID 3028951) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
PubChem CID3028951
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2CCc1ccccc1
InChIInChI=1S/C21H26N2O/c1-22(2)13-12-18-16-23(14-11-17-7-5-4-6-8-17)21-10-9-19(24-3)15-20(18)21/h4-10,15-16H,11-14H2,1-3H3
InChIKeyFAPVNSHGIRRGPX-UHFFFAOYSA-N
XLogP4.00
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
CID 10926166
2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
CID 134382314
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258551
N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide
CID 10248227
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine
CID 11130636
(2S)-2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methyl-3-phenylpropanamide;dihydrochloride
CID 175913974
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone;formic acid
CID 175913972
2-[5-methoxy-1-[2-(2-oxa-5-azaspiro[3.5]nonan-5-yl)ethyl]indol-3-yl]-N,N-dimethylethanamine
CID 166467720
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene
CID 166467472
(E)-1,3-difluorobut-1-ene;ethane;2-[5-methoxy-1-[(E)-2-methylbut-2-enyl]indol-3-yl]-N,N-dimethylethanamine
CID 142937861

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine (CID 3028951) is 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine is COc1ccc2c(c1)c(CCN(C)C)cn2CCc1ccccc1.
What is the InChIKey of 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is FAPVNSHGIRRGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-22(2)13-12-18-16-23(14-11-17-7-5-4-6-8-17)21-10-9-19(24-3)15-20(18)21/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine?
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 322.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 3028951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).