2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine

C16H22N2O — CID 79186206

IUPAC2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine
SMILESC=C(C)Cn1ccc2cccc(CNCCOC)c21
InChIInChI=1S/C16H22N2O/c1-13(2)12-18-9-7-14-5-4-6-15(16(14)18)11-17-8-10-19-3/h4-7,9,17H,1,8,10-12H2,2-3H3
InChIKeyOPHBJZPDBFFZQW-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.95
Rot. Bonds7

About 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine (PubChem CID 79186206) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine
PubChem CID79186206
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine
SMILESC=C(C)Cn1ccc2cccc(CNCCOC)c21
InChIInChI=1S/C16H22N2O/c1-13(2)12-18-9-7-14-5-4-6-15(16(14)18)11-17-8-10-19-3/h4-7,9,17H,1,8,10-12H2,2-3H3
InChIKeyOPHBJZPDBFFZQW-UHFFFAOYSA-N
XLogP2.95
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[7-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102915321
2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-1-amine
CID 79186089
2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine
CID 79185979
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
CID 79185867
7-chloro-1-(2-methylprop-2-enyl)indole
CID 103474876
2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine
CID 114196122
2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine
CID 66038082
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine
CID 102914380
N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine
CID 65364901
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine (CID 79186206) is 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine is C=C(C)Cn1ccc2cccc(CNCCOC)c21.
What is the InChIKey of 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine?
The InChIKey is OPHBJZPDBFFZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(2)12-18-9-7-14-5-4-6-15(16(14)18)11-17-8-10-19-3/h4-7,9,17H,1,8,10-12H2,2-3H3.
What are the key properties of 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine has a molecular weight of 258.36 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine is sourced from PubChem (CID 79186206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).