1-benzyl-4-methoxy-2-propylindole

C19H21NO — CID 16741747

IUPAC1-benzyl-4-methoxy-2-propylindole
SMILESCCCc1cc2c(OC)cccc2n1Cc1ccccc1
InChIInChI=1S/C19H21NO/c1-3-8-16-13-17-18(11-7-12-19(17)21-2)20(16)14-15-9-5-4-6-10-15/h4-7,9-13H,3,8,14H2,1-2H3
InChIKeyQSPWPTMPUXBQLB-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.65
Rot. Bonds5

About 1-benzyl-4-methoxy-2-propylindole

1-benzyl-4-methoxy-2-propylindole (PubChem CID 16741747) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-benzyl-4-methoxy-2-propylindole.

Molecular Properties

Compound Name1-benzyl-4-methoxy-2-propylindole
PubChem CID16741747
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-benzyl-4-methoxy-2-propylindole
SMILESCCCc1cc2c(OC)cccc2n1Cc1ccccc1
InChIInChI=1S/C19H21NO/c1-3-8-16-13-17-18(11-7-12-19(17)21-2)20(16)14-15-9-5-4-6-10-15/h4-7,9-13H,3,8,14H2,1-2H3
InChIKeyQSPWPTMPUXBQLB-UHFFFAOYSA-N
XLogP4.65
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethyl-4-methoxyindol-2-yl)methanol
CID 117120546
2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid
CID 172738667
2-(1-benzyl-2-methylindol-4-yl)oxy-2-fluorobutanoic acid
CID 158658145
1-benzyl-4-methoxy-2,3-dimethylindole
CID 102087023
3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid
CID 117120626
N-[(9-benzylcarbazol-4-yl)oxymethyl]propan-1-amine
CID 142048694
2-(1-ethyl-4-methoxyindol-2-yl)propan-2-ol
CID 117120548
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
(R)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349779
1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide
CID 22627297
(S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349776
1-benzyl-4-(diethoxyphosphorylmethoxy)-2-methylindole
CID 58896000

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methoxy-2-propylindole?
The IUPAC name of 1-benzyl-4-methoxy-2-propylindole (CID 16741747) is 1-benzyl-4-methoxy-2-propylindole.
What is the SMILES notation for 1-benzyl-4-methoxy-2-propylindole?
The canonical SMILES for 1-benzyl-4-methoxy-2-propylindole is CCCc1cc2c(OC)cccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-methoxy-2-propylindole?
The InChIKey is QSPWPTMPUXBQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-8-16-13-17-18(11-7-12-19(17)21-2)20(16)14-15-9-5-4-6-10-15/h4-7,9-13H,3,8,14H2,1-2H3.
What are the key properties of 1-benzyl-4-methoxy-2-propylindole?
1-benzyl-4-methoxy-2-propylindole has a molecular weight of 279.38 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methoxy-2-propylindole is sourced from PubChem (CID 16741747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).