1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride

C12H17ClN2 — CID 117067481

IUPAC1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
SMILESCc1ccc2c(CC(C)N)c[nH]c2c1.Cl
InChIInChI=1S/C12H16N2.ClH/c1-8-3-4-11-10(6-9(2)13)7-14-12(11)5-8;/h3-5,7,9,14H,6,13H2,1-2H3;1H
InChIKeyYXYBNMMHRWIOAA-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.79
Rot. Bonds2

About 1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride

1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride (PubChem CID 117067481) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
PubChem CID117067481
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
SMILESCc1ccc2c(CC(C)N)c[nH]c2c1.Cl
InChIInChI=1S/C12H16N2.ClH/c1-8-3-4-11-10(6-9(2)13)7-14-12(11)5-8;/h3-5,7,9,14H,6,13H2,1-2H3;1H
InChIKeyYXYBNMMHRWIOAA-UHFFFAOYSA-N
XLogP2.79
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 20841984
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82759015
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
3-(2,2-dimethylpropyl)-6-methyl-1H-indole
CID 129190941
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine
CID 149406796
1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine
CID 170014024
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692
phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate
CID 143981469

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride (CID 117067481) is 1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride is Cc1ccc2c(CC(C)N)c[nH]c2c1.Cl.
What is the InChIKey of 1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride?
The InChIKey is YXYBNMMHRWIOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.ClH/c1-8-3-4-11-10(6-9(2)13)7-14-12(11)5-8;/h3-5,7,9,14H,6,13H2,1-2H3;1H.
What are the key properties of 1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride?
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride has a molecular weight of 224.74 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 117067481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).