1H-indol-3-ylmethyl(dimethyl)azanium chloride

C11H15ClN2 — CID 45033090

IUPAC1H-indol-3-ylmethyl(dimethyl)azanium chloride
SMILESC[NH+](C)Cc1c[nH]c2ccccc12.[Cl-]
InChIInChI=1S/C11H14N2.ClH/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;/h3-7,12H,8H2,1-2H3;1H
InChIKeyXJYDLXFETVVFTN-UHFFFAOYSA-N
MW210.71 g/mol
LogP-2.18
Rot. Bonds2

About 1H-indol-3-ylmethyl(dimethyl)azanium chloride

1H-indol-3-ylmethyl(dimethyl)azanium chloride (PubChem CID 45033090) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 1H-indol-3-ylmethyl(dimethyl)azanium chloride.

Molecular Properties

Compound Name1H-indol-3-ylmethyl(dimethyl)azanium chloride
PubChem CID45033090
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name1H-indol-3-ylmethyl(dimethyl)azanium chloride
SMILESC[NH+](C)Cc1c[nH]c2ccccc12.[Cl-]
InChIInChI=1S/C11H14N2.ClH/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;/h3-7,12H,8H2,1-2H3;1H
InChIKeyXJYDLXFETVVFTN-UHFFFAOYSA-N
XLogP-2.18
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 5-2.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-ethyl-1H-indole;methanamine
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3-heptyl-1H-indole
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CID 135044640
CID 135044640
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1H-indol-3-ylmethylphosphane;hydrochloride
CID 173452856
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
CID 57218334
CID 90360713
CID 90360713
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
3-(2-fluoropropyl)-1H-indole
CID 142409179

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-ylmethyl(dimethyl)azanium chloride?
The IUPAC name of 1H-indol-3-ylmethyl(dimethyl)azanium chloride (CID 45033090) is 1H-indol-3-ylmethyl(dimethyl)azanium chloride.
What is the SMILES notation for 1H-indol-3-ylmethyl(dimethyl)azanium chloride?
The canonical SMILES for 1H-indol-3-ylmethyl(dimethyl)azanium chloride is C[NH+](C)Cc1c[nH]c2ccccc12.[Cl-].
What is the InChIKey of 1H-indol-3-ylmethyl(dimethyl)azanium chloride?
The InChIKey is XJYDLXFETVVFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.ClH/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;/h3-7,12H,8H2,1-2H3;1H.
What are the key properties of 1H-indol-3-ylmethyl(dimethyl)azanium chloride?
1H-indol-3-ylmethyl(dimethyl)azanium chloride has a molecular weight of 210.71 g/mol, XLogP of -2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-ylmethyl(dimethyl)azanium chloride is sourced from PubChem (CID 45033090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).