1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine

C14H20N2O — CID 82279305

IUPAC1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2[nH]c(C)c(C(N)C(C)C)c2c1
InChIInChI=1S/C14H20N2O/c1-8(2)14(15)13-9(3)16-12-6-5-10(17-4)7-11(12)13/h5-8,14,16H,15H2,1-4H3
InChIKeyWTSZHBIKKIYHPQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.14
Rot. Bonds3

About 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine

1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine (PubChem CID 82279305) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine
PubChem CID82279305
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2[nH]c(C)c(C(N)C(C)C)c2c1
InChIInChI=1S/C14H20N2O/c1-8(2)14(15)13-9(3)16-12-6-5-10(17-4)7-11(12)13/h5-8,14,16H,15H2,1-4H3
InChIKeyWTSZHBIKKIYHPQ-UHFFFAOYSA-N
XLogP3.14
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine
CID 82024001
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
2-(5-methoxy-2-methyl-1H-indol-3-yl)-3-oxo-3-phenylpropanoyl chloride
CID 57137228
2-amino-3-(5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142423
5-methoxy-2-methyl-3-phenyl-1H-indole
CID 11564934
3-fluoro-6-methoxy-9H-carbazole
CID 171714917
6-methoxy-9H-carbazol-3-ol
CID 142959347
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine (CID 82279305) is 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine is COc1ccc2[nH]c(C)c(C(N)C(C)C)c2c1.
What is the InChIKey of 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine?
The InChIKey is WTSZHBIKKIYHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-8(2)14(15)13-9(3)16-12-6-5-10(17-4)7-11(12)13/h5-8,14,16H,15H2,1-4H3.
What are the key properties of 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine?
1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82279305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).