5,6-dimethoxy-3H-indol-2-amine;hydrochloride

C10H13ClN2O2 — CID 67601231

IUPAC5,6-dimethoxy-3H-indol-2-amine;hydrochloride
SMILESCOc1cc2c(cc1OC)N=C(N)C2.Cl
InChIInChI=1S/C10H12N2O2.ClH/c1-13-8-3-6-4-10(11)12-7(6)5-9(8)14-2;/h3,5H,4H2,1-2H3,(H2,11,12);1H
InChIKeyBPCOZNMTPXTNQP-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.67
Rot. Bonds2

About 5,6-dimethoxy-3H-indol-2-amine;hydrochloride

5,6-dimethoxy-3H-indol-2-amine;hydrochloride (PubChem CID 67601231) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 5,6-dimethoxy-3H-indol-2-amine;hydrochloride.

Molecular Properties

Compound Name5,6-dimethoxy-3H-indol-2-amine;hydrochloride
PubChem CID67601231
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name5,6-dimethoxy-3H-indol-2-amine;hydrochloride
SMILESCOc1cc2c(cc1OC)N=C(N)C2.Cl
InChIInChI=1S/C10H12N2O2.ClH/c1-13-8-3-6-4-10(11)12-7(6)5-9(8)14-2;/h3,5H,4H2,1-2H3,(H2,11,12);1H
InChIKeyBPCOZNMTPXTNQP-UHFFFAOYSA-N
XLogP1.67
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3H-indol-2-amine;hydrochloride?
The IUPAC name of 5,6-dimethoxy-3H-indol-2-amine;hydrochloride (CID 67601231) is 5,6-dimethoxy-3H-indol-2-amine;hydrochloride.
What is the SMILES notation for 5,6-dimethoxy-3H-indol-2-amine;hydrochloride?
The canonical SMILES for 5,6-dimethoxy-3H-indol-2-amine;hydrochloride is COc1cc2c(cc1OC)N=C(N)C2.Cl.
What is the InChIKey of 5,6-dimethoxy-3H-indol-2-amine;hydrochloride?
The InChIKey is BPCOZNMTPXTNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.ClH/c1-13-8-3-6-4-10(11)12-7(6)5-9(8)14-2;/h3,5H,4H2,1-2H3,(H2,11,12);1H.
What are the key properties of 5,6-dimethoxy-3H-indol-2-amine;hydrochloride?
5,6-dimethoxy-3H-indol-2-amine;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3H-indol-2-amine;hydrochloride is sourced from PubChem (CID 67601231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).