2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine

C16H22N2O — CID 79185867

IUPAC2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
SMILESC=C(C)Cn1ccc2ccc(CNCCOC)cc21
InChIInChI=1S/C16H22N2O/c1-13(2)12-18-8-6-15-5-4-14(10-16(15)18)11-17-7-9-19-3/h4-6,8,10,17H,1,7,9,11-12H2,2-3H3
InChIKeyUHDVTYXAYMMIAP-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.95
Rot. Bonds7

About 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine (PubChem CID 79185867) 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-6-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
PubChem CID79185867
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
SMILESC=C(C)Cn1ccc2ccc(CNCCOC)cc21
InChIInChI=1S/C16H22N2O/c1-13(2)12-18-8-6-15-5-4-14(10-16(15)18)11-17-7-9-19-3/h4-6,8,10,17H,1,7,9,11-12H2,2-3H3
InChIKeyUHDVTYXAYMMIAP-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

4-[6-[(2-methoxyethylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102917022
2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine
CID 83149657
methyl 2-[5-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102916342
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine
CID 79186206
2-methoxy-N-[[1-(1,3-thiazol-4-ylmethyl)indol-6-yl]methyl]ethanamine
CID 102917030
N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine
CID 79186311
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine
CID 79186203
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine
CID 114477146
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972
2-methoxy-N-[[4-(3-methylbut-3-enylsulfanyl)phenyl]methyl]ethanamine
CID 114476934

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine (CID 79185867) is 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine is C=C(C)Cn1ccc2ccc(CNCCOC)cc21.
What is the InChIKey of 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine?
The InChIKey is UHDVTYXAYMMIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(2)12-18-8-6-15-5-4-14(10-16(15)18)11-17-7-9-19-3/h4-6,8,10,17H,1,7,9,11-12H2,2-3H3.
What are the key properties of 2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-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-6-yl]methyl]ethanamine is sourced from PubChem (CID 79185867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).