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

C15H22N2O — CID 65335669

IUPACN-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine
SMILESCOc1ccc2[nH]c(C)c(CNC(C)(C)C)c2c1
InChIInChI=1S/C15H22N2O/c1-10-13(9-16-15(2,3)4)12-8-11(18-5)6-7-14(12)17-10/h6-8,16-17H,9H2,1-5H3
InChIKeyVIIFVGIBNSFIQL-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.37
Rot. Bonds3

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

N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine (PubChem CID 65335669) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine
PubChem CID65335669
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine
SMILESCOc1ccc2[nH]c(C)c(CNC(C)(C)C)c2c1
InChIInChI=1S/C15H22N2O/c1-10-13(9-16-15(2,3)4)12-8-11(18-5)6-7-14(12)17-10/h6-8,16-17H,9H2,1-5H3
InChIKeyVIIFVGIBNSFIQL-UHFFFAOYSA-N
XLogP3.37
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.37
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

N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
5-methoxy-2-methyl-3-prop-2-enyl-1H-indole
CID 156558108
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
CID 3988513
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3419914
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione
CID 790258
2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine
CID 69150487
N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide
CID 20647479
3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione
CID 2056968
N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride
CID 21313373
4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3964819

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine (CID 65335669) is N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine is COc1ccc2[nH]c(C)c(CNC(C)(C)C)c2c1.
What is the InChIKey of N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is VIIFVGIBNSFIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-13(9-16-15(2,3)4)12-8-11(18-5)6-7-14(12)17-10/h6-8,16-17H,9H2,1-5H3.
What are the key properties of N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine?
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65335669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).