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

C14H20N2O — CID 65335671

IUPACN-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
SMILESCOc1ccc2[nH]c(C)c(CNC(C)C)c2c1
InChIInChI=1S/C14H20N2O/c1-9(2)15-8-13-10(3)16-14-6-5-11(17-4)7-12(13)14/h5-7,9,15-16H,8H2,1-4H3
InChIKeyUPMRHLUOIVPRDV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.98
Rot. Bonds4

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

N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine (PubChem CID 65335671) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
PubChem CID65335671
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
SMILESCOc1ccc2[nH]c(C)c(CNC(C)C)c2c1
InChIInChI=1S/C14H20N2O/c1-9(2)15-8-13-10(3)16-14-6-5-11(17-4)7-12(13)14/h5-7,9,15-16H,8H2,1-4H3
InChIKeyUPMRHLUOIVPRDV-UHFFFAOYSA-N
XLogP2.98
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.98
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]-2-methylpropan-2-amine
CID 65335669
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335821
5-methoxy-2-methyl-3-prop-2-enyl-1H-indole
CID 156558108
N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 98033031
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
CID 3988513
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335563
N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212208
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812
2-amino-3-(5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142423
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

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine (CID 65335671) is N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine is COc1ccc2[nH]c(C)c(CNC(C)C)c2c1.
What is the InChIKey of N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine?
The InChIKey is UPMRHLUOIVPRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)15-8-13-10(3)16-14-6-5-11(17-4)7-12(13)14/h5-7,9,15-16H,8H2,1-4H3.
What are the key properties of N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine?
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.98, 4 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]propan-2-amine is sourced from PubChem (CID 65335671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).