1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride

C11H14Cl2N2 — CID 518485

IUPAC1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1c[nH]c2ccc(Cl)cc12.Cl
InChIInChI=1S/C11H13ClN2.ClH/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11;/h2-3,5-7,14H,4,13H2,1H3;1H
InChIKeyZPKPOALZYQCCES-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.13
Rot. Bonds2

About 1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride

1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride (PubChem CID 518485) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride
PubChem CID518485
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1c[nH]c2ccc(Cl)cc12.Cl
InChIInChI=1S/C11H13ClN2.ClH/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11;/h2-3,5-7,14H,4,13H2,1H3;1H
InChIKeyZPKPOALZYQCCES-UHFFFAOYSA-N
XLogP3.13
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride (CID 518485) is 1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride is CC(N)Cc1c[nH]c2ccc(Cl)cc12.Cl.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride?
The InChIKey is ZPKPOALZYQCCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2.ClH/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11;/h2-3,5-7,14H,4,13H2,1H3;1H.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride?
1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride has a molecular weight of 245.15 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 518485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).