N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine

C14H20N2O — CID 65335563

IUPACN-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
SMILESCOc1cccc2c(CNC(C)C)c(C)[nH]c12
InChIInChI=1S/C14H20N2O/c1-9(2)15-8-12-10(3)16-14-11(12)6-5-7-13(14)17-4/h5-7,9,15-16H,8H2,1-4H3
InChIKeyIMHNBVKTIOZUOC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.98
Rot. Bonds4

About N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine

N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine (PubChem CID 65335563) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
PubChem CID65335563
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
SMILESCOc1cccc2c(CNC(C)C)c(C)[nH]c12
InChIInChI=1S/C14H20N2O/c1-9(2)15-8-12-10(3)16-14-11(12)6-5-7-13(14)17-4/h5-7,9,15-16H,8H2,1-4H3
InChIKeyIMHNBVKTIOZUOC-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-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine
CID 65335513
2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde
CID 112710911
1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine
CID 65333048
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674967
N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
CID 82451889
3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 116811061
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335821
N-[(2,6-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 145435829
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96675265
N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 60915922

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine (CID 65335563) is N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine is COc1cccc2c(CNC(C)C)c(C)[nH]c12.
What is the InChIKey of N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine?
The InChIKey is IMHNBVKTIOZUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)15-8-12-10(3)16-14-11(12)6-5-7-13(14)17-4/h5-7,9,15-16H,8H2,1-4H3.
What are the key properties of N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine?
N-[(7-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-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 65335563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).