2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine

C15H22N2O — CID 84741788

IUPAC2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c(C(C)C)[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H22N2O/c1-10(2)15-12(7-8-16-3)13-9-11(18-4)5-6-14(13)17-15/h5-6,9-10,16-17H,7-8H2,1-4H3
InChIKeyMMLUEOXWJJYKET-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.06
Rot. Bonds5

About 2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine

2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine (PubChem CID 84741788) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
PubChem CID84741788
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c(C(C)C)[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H22N2O/c1-10(2)15-12(7-8-16-3)13-9-11(18-4)5-6-14(13)17-15/h5-6,9-10,16-17H,7-8H2,1-4H3
InChIKeyMMLUEOXWJJYKET-UHFFFAOYSA-N
XLogP3.06
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
CID 84743209
1-(6-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine
CID 84740972
5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-propan-2-yl-1H-indole
CID 178091784
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine
CID 84740322
3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 118071542
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
CID 84741686
ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate
CID 70508513
3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 14020208
3-chloro-6-methoxy-2-propan-2-yl-1H-indole
CID 166668036
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
CID 3988513

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine (CID 84741788) is 2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine is CNCCc1c(C(C)C)[nH]c2ccc(OC)cc12.
What is the InChIKey of 2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is MMLUEOXWJJYKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)15-12(7-8-16-3)13-9-11(18-4)5-6-14(13)17-15/h5-6,9-10,16-17H,7-8H2,1-4H3.
What are the key properties of 2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine?
2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 246.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 84741788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).