4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine

C15H22N2O — CID 82498291

IUPAC4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine
SMILESCOc1ccc2c(c1)c(CCC(C)N)c(C)n2C
InChIInChI=1S/C15H22N2O/c1-10(16)5-7-13-11(2)17(3)15-8-6-12(18-4)9-14(13)15/h6,8-10H,5,7,16H2,1-4H3
InChIKeyGJHMEQFENUDZKC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.78
Rot. Bonds4

About 4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine

4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine (PubChem CID 82498291) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine
PubChem CID82498291
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine
SMILESCOc1ccc2c(c1)c(CCC(C)N)c(C)n2C
InChIInChI=1S/C15H22N2O/c1-10(16)5-7-13-11(2)17(3)15-8-6-12(18-4)9-14(13)15/h6,8-10H,5,7,16H2,1-4H3
InChIKeyGJHMEQFENUDZKC-UHFFFAOYSA-N
XLogP2.78
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
4-(1,2,6-trimethylindol-3-yl)butan-2-amine
CID 82495296
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
CID 82498330
5-methoxy-1,2-dimethyl-3-propan-2-ylindole
CID 167327667
3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine
CID 156735251
(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 83860104
4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-methylbutanoic acid
CID 10252093

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine?
The IUPAC name of 4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine (CID 82498291) is 4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine?
The canonical SMILES for 4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine is COc1ccc2c(c1)c(CCC(C)N)c(C)n2C.
What is the InChIKey of 4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine?
The InChIKey is GJHMEQFENUDZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(16)5-7-13-11(2)17(3)15-8-6-12(18-4)9-14(13)15/h6,8-10H,5,7,16H2,1-4H3.
What are the key properties of 4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine?
4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine is sourced from PubChem (CID 82498291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).