N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride

C9H14Cl2N2 — CID 175177569

IUPACN-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
SMILESCNc1ccc2c(c1)CCN2.Cl.Cl
InChIInChI=1S/C9H12N2.2ClH/c1-10-8-2-3-9-7(6-8)4-5-11-9;;/h2-3,6,10-11H,4-5H2,1H3;2*1H
InChIKeyYJBUIYQYIVBNEL-UHFFFAOYSA-N
MW221.13 g/mol
LogP2.54
Rot. Bonds1

About N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride

N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride (PubChem CID 175177569) has the molecular formula C9H14Cl2N2 and a molecular weight of 221.13 g/mol. Its IUPAC name is N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
PubChem CID175177569
Molecular FormulaC9H14Cl2N2
Molecular Weight221.13 g/mol
Exact Mass220.05
IUPAC NameN-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
SMILESCNc1ccc2c(c1)CCN2.Cl.Cl
InChIInChI=1S/C9H12N2.2ClH/c1-10-8-2-3-9-7(6-8)4-5-11-9;;/h2-3,6,10-11H,4-5H2,1H3;2*1H
InChIKeyYJBUIYQYIVBNEL-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-indol-5-yl)-N-methylaniline
CID 116998160
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 139022525
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride
CID 119473829
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
N-(2,3-dihydro-1H-indol-5-yl)-1-methylcyclopropane-1-carboxamide
CID 119473770
N-benzyl-2,3-dihydro-1H-indol-5-amine
CID 22497856
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-methylsulfonylpropanamide;hydrochloride
CID 119473761
N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride
CID 119473853
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide
CID 63242833
3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea
CID 79161283

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride?
The IUPAC name of N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride (CID 175177569) is N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride.
What is the SMILES notation for N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride?
The canonical SMILES for N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride is CNc1ccc2c(c1)CCN2.Cl.Cl.
What is the InChIKey of N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride?
The InChIKey is YJBUIYQYIVBNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.2ClH/c1-10-8-2-3-9-7(6-8)4-5-11-9;;/h2-3,6,10-11H,4-5H2,1H3;2*1H.
What are the key properties of N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride?
N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride has a molecular weight of 221.13 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride is sourced from PubChem (CID 175177569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).