(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride

C10H12BrClN2 — CID 171225851

IUPAC(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
SMILESC[C@H](N)c1c[nH]c2ccc(Br)cc12.Cl
InChIInChI=1S/C10H11BrN2.ClH/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10;/h2-6,13H,12H2,1H3;1H/t6-;/m0./s1
InChIKeySGMOIZPUJOCGMP-RGMNGODLSA-N
MW275.58 g/mol
LogP3.37
Rot. Bonds1

About (1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride

(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride (PubChem CID 171225851) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is (1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
PubChem CID171225851
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC Name(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
SMILESC[C@H](N)c1c[nH]c2ccc(Br)cc12.Cl
InChIInChI=1S/C10H11BrN2.ClH/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10;/h2-6,13H,12H2,1H3;1H/t6-;/m0./s1
InChIKeySGMOIZPUJOCGMP-RGMNGODLSA-N
XLogP3.37
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
5-bromo-3-(3-methylbutan-2-yl)-1H-indole
CID 106985167
(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol
CID 57332046
(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 97297266
(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282
N-[1-(5-bromo-1H-indol-3-yl)ethyl]ethanimine oxide
CID 89349105
(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine
CID 171225867
(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
CID 171206288

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride (CID 171225851) is (1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride is C[C@H](N)c1c[nH]c2ccc(Br)cc12.Cl.
What is the InChIKey of (1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride?
The InChIKey is SGMOIZPUJOCGMP-RGMNGODLSA-N. The full InChI is InChI=1S/C10H11BrN2.ClH/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10;/h2-6,13H,12H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride?
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride has a molecular weight of 275.58 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 171225851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).