1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine

C15H22N2O — CID 117195040

IUPAC1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine
SMILESCNC(C)c1cn(C(C)C)c2cccc(OC)c12
InChIInChI=1S/C15H22N2O/c1-10(2)17-9-12(11(3)16-4)15-13(17)7-6-8-14(15)18-5/h6-11,16H,1-5H3
InChIKeyRAJJEZDJRJGQRW-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine

1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine (PubChem CID 117195040) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine
PubChem CID117195040
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine
SMILESCNC(C)c1cn(C(C)C)c2cccc(OC)c12
InChIInChI=1S/C15H22N2O/c1-10(2)17-9-12(11(3)16-4)15-13(17)7-6-8-14(15)18-5/h6-11,16H,1-5H3
InChIKeyRAJJEZDJRJGQRW-UHFFFAOYSA-N
XLogP3.51
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
CID 117195037
1-(7-methoxy-1-methylindol-3-yl)-N-methylethanamine
CID 83860032
1-(difluoromethyl)-4-methoxyindole-3-sulfonamide
CID 83174365
1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol
CID 82278890
1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117196328
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197935
1-(6-chloro-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117196326
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-5-ol
CID 117195703
5-methoxy-4-methyl-2-propan-2-ylisoquinolin-1-one
CID 115038305
(1R)-1-(4-methoxy-1-methylindol-3-yl)propan-1-ol
CID 107360558
4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide
CID 83166305
3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171875

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine (CID 117195040) is 1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine is CNC(C)c1cn(C(C)C)c2cccc(OC)c12.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine?
The InChIKey is RAJJEZDJRJGQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)17-9-12(11(3)16-4)15-13(17)7-6-8-14(15)18-5/h6-11,16H,1-5H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine?
1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine has a molecular weight of 246.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine is sourced from PubChem (CID 117195040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).