(4-amino-5-methoxy-1-methylindol-3-yl)methanol

C11H14N2O2 — CID 119090872

IUPAC(4-amino-5-methoxy-1-methylindol-3-yl)methanol
SMILESCOc1ccc2c(c(CO)cn2C)c1N
InChIInChI=1S/C11H14N2O2/c1-13-5-7(6-14)10-8(13)3-4-9(15-2)11(10)12/h3-5,14H,6,12H2,1-2H3
InChIKeyMYGDENMAUCIXDF-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.26
Rot. Bonds2

About (4-amino-5-methoxy-1-methylindol-3-yl)methanol

(4-amino-5-methoxy-1-methylindol-3-yl)methanol (PubChem CID 119090872) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (4-amino-5-methoxy-1-methylindol-3-yl)methanol.

Molecular Properties

Compound Name(4-amino-5-methoxy-1-methylindol-3-yl)methanol
PubChem CID119090872
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(4-amino-5-methoxy-1-methylindol-3-yl)methanol
SMILESCOc1ccc2c(c(CO)cn2C)c1N
InChIInChI=1S/C11H14N2O2/c1-13-5-7(6-14)10-8(13)3-4-9(15-2)11(10)12/h3-5,14H,6,12H2,1-2H3
InChIKeyMYGDENMAUCIXDF-UHFFFAOYSA-N
XLogP1.26
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methoxy-1-methylindol-3-yl)methanol?
The IUPAC name of (4-amino-5-methoxy-1-methylindol-3-yl)methanol (CID 119090872) is (4-amino-5-methoxy-1-methylindol-3-yl)methanol.
What is the SMILES notation for (4-amino-5-methoxy-1-methylindol-3-yl)methanol?
The canonical SMILES for (4-amino-5-methoxy-1-methylindol-3-yl)methanol is COc1ccc2c(c(CO)cn2C)c1N.
What is the InChIKey of (4-amino-5-methoxy-1-methylindol-3-yl)methanol?
The InChIKey is MYGDENMAUCIXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-5-7(6-14)10-8(13)3-4-9(15-2)11(10)12/h3-5,14H,6,12H2,1-2H3.
What are the key properties of (4-amino-5-methoxy-1-methylindol-3-yl)methanol?
(4-amino-5-methoxy-1-methylindol-3-yl)methanol has a molecular weight of 206.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methoxy-1-methylindol-3-yl)methanol is sourced from PubChem (CID 119090872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).