(6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine

C14H20N2O — CID 84627120

IUPAC(6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine
SMILESCOc1ccc2c(C(C)C)c(CN)n(C)c2c1
InChIInChI=1S/C14H20N2O/c1-9(2)14-11-6-5-10(17-4)7-12(11)16(3)13(14)8-15/h5-7,9H,8,15H2,1-4H3
InChIKeyIZRLGXUNIYZBHA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.77
Rot. Bonds3

About (6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine

(6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine (PubChem CID 84627120) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine.

Molecular Properties

Compound Name(6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine
PubChem CID84627120
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine
SMILESCOc1ccc2c(C(C)C)c(CN)n(C)c2c1
InChIInChI=1S/C14H20N2O/c1-9(2)14-11-6-5-10(17-4)7-12(11)16(3)13(14)8-15/h5-7,9H,8,15H2,1-4H3
InChIKeyIZRLGXUNIYZBHA-UHFFFAOYSA-N
XLogP2.77
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.77
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-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one
CID 84626906
5-methoxy-1,2-dimethyl-3-propan-2-ylindole
CID 167327667
3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
CID 82278870
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
7-methoxy-9-methylcarbazole-2-carbonitrile
CID 10847401
6-methoxy-1,2-dimethylindole-3-carboxamide
CID 71165672
7-methoxy-4-propan-2-ylcinnoline
CID 164758055
(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 83860104

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine?
The IUPAC name of (6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine (CID 84627120) is (6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine.
What is the SMILES notation for (6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine?
The canonical SMILES for (6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine is COc1ccc2c(C(C)C)c(CN)n(C)c2c1.
What is the InChIKey of (6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine?
The InChIKey is IZRLGXUNIYZBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)14-11-6-5-10(17-4)7-12(11)16(3)13(14)8-15/h5-7,9H,8,15H2,1-4H3.
What are the key properties of (6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine?
(6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine has a molecular weight of 232.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine is sourced from PubChem (CID 84627120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).