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

C11H14Cl2N2 — CID 154878767

IUPAC3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H13ClN2.ClH/c12-9-3-4-11-10(6-9)8(7-14-11)2-1-5-13;/h3-4,6-7,14H,1-2,5,13H2;1H
InChIKeyUSIHSKKCHZBDOF-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.13
Rot. Bonds3

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

3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride (PubChem CID 154878767) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
PubChem CID154878767
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H13ClN2.ClH/c12-9-3-4-11-10(6-9)8(7-14-11)2-1-5-13;/h3-4,6-7,14H,1-2,5,13H2;1H
InChIKeyUSIHSKKCHZBDOF-UHFFFAOYSA-N
XLogP3.13
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

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2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
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3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
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ethyl 4-(5-chloro-1H-indol-3-yl)butanoate
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5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
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4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane
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8-(1H-indol-3-yl)octan-1-amine
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5-chloro-3-(ethylsulfanylmethyl)-1H-indole
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CID 21122976

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride (CID 154878767) is 3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride is Cl.NCCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is USIHSKKCHZBDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2.ClH/c12-9-3-4-11-10(6-9)8(7-14-11)2-1-5-13;/h3-4,6-7,14H,1-2,5,13H2;1H.
What are the key properties of 3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride?
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 245.15 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 154878767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).