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

C11H15ClN2 — CID 11970278

IUPAC2-(1H-indol-3-yl)propan-1-amine;hydrochloride
SMILESCC(CN)c1c[nH]c2ccccc12.Cl
InChIInChI=1S/C11H14N2.ClH/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11;/h2-5,7-8,13H,6,12H2,1H3;1H
InChIKeyREFZTIWVELBEFV-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.65
Rot. Bonds2

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

2-(1H-indol-3-yl)propan-1-amine;hydrochloride (PubChem CID 11970278) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(1H-indol-3-yl)propan-1-amine;hydrochloride
PubChem CID11970278
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-(1H-indol-3-yl)propan-1-amine;hydrochloride
SMILESCC(CN)c1c[nH]c2ccccc12.Cl
InChIInChI=1S/C11H14N2.ClH/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11;/h2-5,7-8,13H,6,12H2,1H3;1H
InChIKeyREFZTIWVELBEFV-UHFFFAOYSA-N
XLogP2.65
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
3-propan-2-yl-1H-indole
CID 12534824
3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052
2-(7-bromo-1H-indol-3-yl)propan-1-amine
CID 76846624
2-(1H-pyrrolo[3,2-b]pyridin-3-yl)propan-1-amine
CID 82653660
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of 2-(1H-indol-3-yl)propan-1-amine;hydrochloride (CID 11970278) is 2-(1H-indol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-(1H-indol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-(1H-indol-3-yl)propan-1-amine;hydrochloride is CC(CN)c1c[nH]c2ccccc12.Cl.
What is the InChIKey of 2-(1H-indol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is REFZTIWVELBEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.ClH/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11;/h2-5,7-8,13H,6,12H2,1H3;1H.
What are the key properties of 2-(1H-indol-3-yl)propan-1-amine;hydrochloride?
2-(1H-indol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 210.71 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 11970278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).