1-methyl-2,3-dihydroindol-6-amine;dihydrochloride

C9H14Cl2N2 — CID 86767571

IUPAC1-methyl-2,3-dihydroindol-6-amine;dihydrochloride
SMILESCN1CCc2ccc(N)cc21.Cl.Cl
InChIInChI=1S/C9H12N2.2ClH/c1-11-5-4-7-2-3-8(10)6-9(7)11;;/h2-3,6H,4-5,10H2,1H3;2*1H
InChIKeyNBSDYXSEHVLNSY-UHFFFAOYSA-N
MW221.13 g/mol
LogP2.10
Rot. Bonds

About 1-methyl-2,3-dihydroindol-6-amine;dihydrochloride

1-methyl-2,3-dihydroindol-6-amine;dihydrochloride (PubChem CID 86767571) has the molecular formula C9H14Cl2N2 and a molecular weight of 221.13 g/mol. Its IUPAC name is 1-methyl-2,3-dihydroindol-6-amine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-2,3-dihydroindol-6-amine;dihydrochloride
PubChem CID86767571
Molecular FormulaC9H14Cl2N2
Molecular Weight221.13 g/mol
Exact Mass220.05
IUPAC Name1-methyl-2,3-dihydroindol-6-amine;dihydrochloride
SMILESCN1CCc2ccc(N)cc21.Cl.Cl
InChIInChI=1S/C9H12N2.2ClH/c1-11-5-4-7-2-3-8(10)6-9(7)11;;/h2-3,6H,4-5,10H2,1H3;2*1H
InChIKeyNBSDYXSEHVLNSY-UHFFFAOYSA-N
XLogP2.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydroindol-6-amine;dihydrochloride?
The IUPAC name of 1-methyl-2,3-dihydroindol-6-amine;dihydrochloride (CID 86767571) is 1-methyl-2,3-dihydroindol-6-amine;dihydrochloride.
What is the SMILES notation for 1-methyl-2,3-dihydroindol-6-amine;dihydrochloride?
The canonical SMILES for 1-methyl-2,3-dihydroindol-6-amine;dihydrochloride is CN1CCc2ccc(N)cc21.Cl.Cl.
What is the InChIKey of 1-methyl-2,3-dihydroindol-6-amine;dihydrochloride?
The InChIKey is NBSDYXSEHVLNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.2ClH/c1-11-5-4-7-2-3-8(10)6-9(7)11;;/h2-3,6H,4-5,10H2,1H3;2*1H.
What are the key properties of 1-methyl-2,3-dihydroindol-6-amine;dihydrochloride?
1-methyl-2,3-dihydroindol-6-amine;dihydrochloride has a molecular weight of 221.13 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydroindol-6-amine;dihydrochloride is sourced from PubChem (CID 86767571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).