3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine

C15H22N2O — CID 84632477

IUPAC3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCOc1cc(C)c2[nH]cc(C(C)(C)CCN)c2c1
InChIInChI=1S/C15H22N2O/c1-10-7-11(18-4)8-12-13(9-17-14(10)12)15(2,3)5-6-16/h7-9,17H,5-6,16H2,1-4H3
InChIKeyDWSLCLJUYQGZNG-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.11
Rot. Bonds4

About 3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine

3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine (PubChem CID 84632477) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
PubChem CID84632477
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCOc1cc(C)c2[nH]cc(C(C)(C)CCN)c2c1
InChIInChI=1S/C15H22N2O/c1-10-7-11(18-4)8-12-13(9-17-14(10)12)15(2,3)5-6-16/h7-9,17H,5-6,16H2,1-4H3
InChIKeyDWSLCLJUYQGZNG-UHFFFAOYSA-N
XLogP3.11
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627056
5-methoxy-3,7-dimethyl-1H-indole
CID 82490544
2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
CID 82493655
5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82500153
ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate
CID 84741855
N,N-diethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946783
2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82397045
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82495967
3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine
CID 80502709
4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
CID 116925176
5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
CID 106985577
2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine
CID 84622445

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine (CID 84632477) is 3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine is COc1cc(C)c2[nH]cc(C(C)(C)CCN)c2c1.
What is the InChIKey of 3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
The InChIKey is DWSLCLJUYQGZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-7-11(18-4)8-12-13(9-17-14(10)12)15(2,3)5-6-16/h7-9,17H,5-6,16H2,1-4H3.
What are the key properties of 3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 84632477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).