2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride

C10H16Cl2N2 — CID 165454907

IUPAC2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCC1Cc2ccccc2N1
InChIInChI=1S/C10H14N2.2ClH/c11-6-5-9-7-8-3-1-2-4-10(8)12-9;;/h1-4,9,12H,5-7,11H2;2*1H
InChIKeyBTYSXEGPSJFWJS-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.22
Rot. Bonds2

About 2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride

2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride (PubChem CID 165454907) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride
PubChem CID165454907
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC Name2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCC1Cc2ccccc2N1
InChIInChI=1S/C10H14N2.2ClH/c11-6-5-9-7-8-3-1-2-4-10(8)12-9;;/h1-4,9,12H,5-7,11H2;2*1H
InChIKeyBTYSXEGPSJFWJS-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
3-(2,3-dihydro-1H-indol-2-yl)propan-1-ol
CID 10976039
N-[2-(2,3-dihydro-1H-indol-2-yl)ethyl]cyclopentanamine
CID 115105365
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
2-nonyl-2,3-dihydro-1H-indole
CID 65041926
(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine
CID 143815191
2-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
CID 115105505
2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104070
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
CID 130522123

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride (CID 165454907) is 2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride is Cl.Cl.NCCC1Cc2ccccc2N1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride?
The InChIKey is BTYSXEGPSJFWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2ClH/c11-6-5-9-7-8-3-1-2-4-10(8)12-9;;/h1-4,9,12H,5-7,11H2;2*1H.
What are the key properties of 2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride?
2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride has a molecular weight of 235.16 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 165454907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).