2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane

C21H27NO2 — CID 143177705

IUPAC2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane
SMILESCC.CCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccccc12
InChIInChI=1S/C19H21NO2.C2H6/c1-4-7-15-14-8-5-6-9-16(14)20-19(15)13-10-11-17(21-2)18(12-13)22-3;1-2/h5-6,8-12,20H,4,7H2,1-3H3;1-2H3
InChIKeyBTRZRRWDANREQG-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.83
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane

2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane (PubChem CID 143177705) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane
PubChem CID143177705
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane
SMILESCC.CCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccccc12
InChIInChI=1S/C19H21NO2.C2H6/c1-4-7-15-14-8-5-6-9-16(14)20-19(15)13-10-11-17(21-2)18(12-13)22-3;1-2/h5-6,8-12,20H,4,7H2,1-3H3;1-2H3
InChIKeyBTRZRRWDANREQG-UHFFFAOYSA-N
XLogP5.83
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 71546977
3-(4-aminobutyl)-2-(3,4-dimethoxyphenyl)-1H-indole-5-carbonitrile
CID 4213545
N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine
CID 59921071
2-(3,4-dimethoxyphenyl)-N,3-diethyl-N-piperidin-4-yl-1H-indol-5-amine
CID 155226591
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
CID 134024061
1-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-1-(ethylamino)-3-pyridin-4-yloxypropan-2-ol
CID 67665808
butyl 4-(3,4-dimethoxyphenyl)-2-oxo-1H-quinoline-3-carboxylate
CID 140995779
methyl 5-[[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]methyl]-2-methoxybenzoate
CID 55413065
3-ethyl-2-propyl-1H-indole
CID 65335384
methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate
CID 150364727
2-[2-(3,4-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4620548
2-[1-bromo-6-(3-pentyl-1H-indol-2-yl)naphthalen-2-yl]oxyacetic acid
CID 22327349

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane (CID 143177705) is 2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane is CC.CCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccccc12.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane?
The InChIKey is BTRZRRWDANREQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.C2H6/c1-4-7-15-14-8-5-6-9-16(14)20-19(15)13-10-11-17(21-2)18(12-13)22-3;1-2/h5-6,8-12,20H,4,7H2,1-3H3;1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane?
2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane has a molecular weight of 325.45 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane is sourced from PubChem (CID 143177705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).