5-methoxy-1-(4-methylpentan-2-yl)indole

C15H21NO — CID 102339927

IUPAC5-methoxy-1-(4-methylpentan-2-yl)indole
SMILESCOc1ccc2c(ccn2C(C)CC(C)C)c1
InChIInChI=1S/C15H21NO/c1-11(2)9-12(3)16-8-7-13-10-14(17-4)5-6-15(13)16/h5-8,10-12H,9H2,1-4H3
InChIKeySSEJQFBJXKPTNL-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.26
Rot. Bonds4

About 5-methoxy-1-(4-methylpentan-2-yl)indole

5-methoxy-1-(4-methylpentan-2-yl)indole (PubChem CID 102339927) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-methoxy-1-(4-methylpentan-2-yl)indole.

Molecular Properties

Compound Name5-methoxy-1-(4-methylpentan-2-yl)indole
PubChem CID102339927
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5-methoxy-1-(4-methylpentan-2-yl)indole
SMILESCOc1ccc2c(ccn2C(C)CC(C)C)c1
InChIInChI=1S/C15H21NO/c1-11(2)9-12(3)16-8-7-13-10-14(17-4)5-6-15(13)16/h5-8,10-12H,9H2,1-4H3
InChIKeySSEJQFBJXKPTNL-UHFFFAOYSA-N
XLogP4.26
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-1-(4-methylpentan-2-yl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282497
(2R)-2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282498
CID 174065240
CID 174065240
(1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
CID 168762111
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016
5-methoxy-1-(2-methylbutyl)indole
CID 116619323
5-methoxy-1-methylindole
CID 819864
3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine
CID 103366538
(2R)-2-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
CID 168762038
5-methoxy-1-prop-2-ynylindole
CID 45091362
1-(5-methoxyindol-1-yl)propan-2-yl methanesulfonate
CID 10684389
(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
CID 178146613

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-methylpentan-2-yl)indole?
The IUPAC name of 5-methoxy-1-(4-methylpentan-2-yl)indole (CID 102339927) is 5-methoxy-1-(4-methylpentan-2-yl)indole.
What is the SMILES notation for 5-methoxy-1-(4-methylpentan-2-yl)indole?
The canonical SMILES for 5-methoxy-1-(4-methylpentan-2-yl)indole is COc1ccc2c(ccn2C(C)CC(C)C)c1.
What is the InChIKey of 5-methoxy-1-(4-methylpentan-2-yl)indole?
The InChIKey is SSEJQFBJXKPTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)9-12(3)16-8-7-13-10-14(17-4)5-6-15(13)16/h5-8,10-12H,9H2,1-4H3.
What are the key properties of 5-methoxy-1-(4-methylpentan-2-yl)indole?
5-methoxy-1-(4-methylpentan-2-yl)indole has a molecular weight of 231.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methylpentan-2-yl)indole is sourced from PubChem (CID 102339927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).