1-(1H-indol-3-yl)propan-2-amine;dihydrochloride

C11H16Cl2N2 — CID 141487070

IUPAC1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
SMILESCC(N)Cc1c[nH]c2ccccc12.Cl.Cl
InChIInChI=1S/C11H14N2.2ClH/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11;;/h2-5,7-8,13H,6,12H2,1H3;2*1H
InChIKeyWYRYSXJXEYRCMN-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.90
Rot. Bonds2

About 1-(1H-indol-3-yl)propan-2-amine;dihydrochloride

1-(1H-indol-3-yl)propan-2-amine;dihydrochloride (PubChem CID 141487070) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)propan-2-amine;dihydrochloride.

Molecular Properties

Compound Name1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
PubChem CID141487070
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
SMILESCC(N)Cc1c[nH]c2ccccc12.Cl.Cl
InChIInChI=1S/C11H14N2.2ClH/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11;;/h2-5,7-8,13H,6,12H2,1H3;2*1H
InChIKeyWYRYSXJXEYRCMN-UHFFFAOYSA-N
XLogP2.90
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

CID 90360713
CID 90360713
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
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CID 8367
CID 159289295
CID 159289295
(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140660880
3-(2-fluoropropyl)-1H-indole
CID 142409179
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
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(2R)-4-amino-1-(1H-indol-3-yl)pentan-2-ol;carbon dioxide
CID 123364980
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine
CID 130443458
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
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2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)propan-2-amine;dihydrochloride?
The IUPAC name of 1-(1H-indol-3-yl)propan-2-amine;dihydrochloride (CID 141487070) is 1-(1H-indol-3-yl)propan-2-amine;dihydrochloride.
What is the SMILES notation for 1-(1H-indol-3-yl)propan-2-amine;dihydrochloride?
The canonical SMILES for 1-(1H-indol-3-yl)propan-2-amine;dihydrochloride is CC(N)Cc1c[nH]c2ccccc12.Cl.Cl.
What is the InChIKey of 1-(1H-indol-3-yl)propan-2-amine;dihydrochloride?
The InChIKey is WYRYSXJXEYRCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.2ClH/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11;;/h2-5,7-8,13H,6,12H2,1H3;2*1H.
What are the key properties of 1-(1H-indol-3-yl)propan-2-amine;dihydrochloride?
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride has a molecular weight of 247.17 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)propan-2-amine;dihydrochloride is sourced from PubChem (CID 141487070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).