3-butyl-5-methoxy-1,2-dimethylindole

C15H21NO — CID 129194050

IUPAC3-butyl-5-methoxy-1,2-dimethylindole
SMILESCCCCc1c(C)n(C)c2ccc(OC)cc12
InChIInChI=1S/C15H21NO/c1-5-6-7-13-11(2)16(3)15-9-8-12(17-4)10-14(13)15/h8-10H,5-7H2,1-4H3
InChIKeyVTYIQOLJWYSFGD-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.84
Rot. Bonds4

About 3-butyl-5-methoxy-1,2-dimethylindole

3-butyl-5-methoxy-1,2-dimethylindole (PubChem CID 129194050) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-butyl-5-methoxy-1,2-dimethylindole.

Molecular Properties

Compound Name3-butyl-5-methoxy-1,2-dimethylindole
PubChem CID129194050
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-butyl-5-methoxy-1,2-dimethylindole
SMILESCCCCc1c(C)n(C)c2ccc(OC)cc12
InChIInChI=1S/C15H21NO/c1-5-6-7-13-11(2)16(3)15-9-8-12(17-4)10-14(13)15/h8-10H,5-7H2,1-4H3
InChIKeyVTYIQOLJWYSFGD-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine
CID 82498291
3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889
9-butyl-3-methoxycarbazole
CID 132503458
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
3-(5-methoxy-2-methyl-1-octadecylindol-3-yl)propanoic acid
CID 70340163
3-hexyl-1,2-dimethylindol-5-amine
CID 19016534
2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine
CID 156735251
5-methoxy-1,2-dimethyl-3-propan-2-ylindole
CID 167327667
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
CID 82498330

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methoxy-1,2-dimethylindole?
The IUPAC name of 3-butyl-5-methoxy-1,2-dimethylindole (CID 129194050) is 3-butyl-5-methoxy-1,2-dimethylindole.
What is the SMILES notation for 3-butyl-5-methoxy-1,2-dimethylindole?
The canonical SMILES for 3-butyl-5-methoxy-1,2-dimethylindole is CCCCc1c(C)n(C)c2ccc(OC)cc12.
What is the InChIKey of 3-butyl-5-methoxy-1,2-dimethylindole?
The InChIKey is VTYIQOLJWYSFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-6-7-13-11(2)16(3)15-9-8-12(17-4)10-14(13)15/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-butyl-5-methoxy-1,2-dimethylindole?
3-butyl-5-methoxy-1,2-dimethylindole has a molecular weight of 231.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methoxy-1,2-dimethylindole is sourced from PubChem (CID 129194050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).