1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol

C15H22N2O — CID 156852003

IUPAC1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol
SMILESCC(C)N(C)CCc1cn(C)c2cccc(O)c12
InChIInChI=1S/C15H22N2O/c1-11(2)16(3)9-8-12-10-17(4)13-6-5-7-14(18)15(12)13/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyIUTKIVOWQPDGMZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.77
Rot. Bonds4

About 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol

1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol (PubChem CID 156852003) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol.

Molecular Properties

Compound Name1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol
PubChem CID156852003
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol
SMILESCC(C)N(C)CCc1cn(C)c2cccc(O)c12
InChIInChI=1S/C15H22N2O/c1-11(2)16(3)9-8-12-10-17(4)13-6-5-7-14(18)15(12)13/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyIUTKIVOWQPDGMZ-UHFFFAOYSA-N
XLogP2.77
TPSA28.40 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Serotonin
CID 5202
Bufotenine
CID 10257
Psilocybin
CID 10624
Psilocin
CID 4980
6-Hydroxyindole
CID 524508
Serotonin Hydrochloride
CID 160436
N-Methylserotonin
CID 150885
1H-indol-4-ol
CID 75421
Harmalol
CID 3565
Alpha-Methylserotonin
CID 2107
7-Hydroxyquinoline
CID 135426866
Quinolin-5-ol
CID 135441757

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol?
The IUPAC name of 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol (CID 156852003) is 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol.
What is the SMILES notation for 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol?
The canonical SMILES for 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol is CC(C)N(C)CCc1cn(C)c2cccc(O)c12.
What is the InChIKey of 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol?
The InChIKey is IUTKIVOWQPDGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)16(3)9-8-12-10-17(4)13-6-5-7-14(18)15(12)13/h5-7,10-11,18H,8-9H2,1-4H3.
What are the key properties of 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol?
1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol has a molecular weight of 246.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]indol-4-ol is sourced from PubChem (CID 156852003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).