(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine

C10H11BrN2 — CID 79018503

IUPAC(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
SMILESC[C@@H](N)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H11BrN2/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-6,13H,12H2,1H3/t6-/m1/s1
InChIKeyVEMBYRAOQDXUMU-ZCFIWIBFSA-N
MW239.12 g/mol
LogP2.95
Rot. Bonds1

About (1R)-1-(5-bromo-1H-indol-3-yl)ethanamine

(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine (PubChem CID 79018503) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is (1R)-1-(5-bromo-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
PubChem CID79018503
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
SMILESC[C@@H](N)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H11BrN2/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-6,13H,12H2,1H3/t6-/m1/s1
InChIKeyVEMBYRAOQDXUMU-ZCFIWIBFSA-N
XLogP2.95
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
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
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
(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
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-1H-indol-3-yl)ethanamine?
The IUPAC name of (1R)-1-(5-bromo-1H-indol-3-yl)ethanamine (CID 79018503) is (1R)-1-(5-bromo-1H-indol-3-yl)ethanamine.
What is the SMILES notation for (1R)-1-(5-bromo-1H-indol-3-yl)ethanamine?
The canonical SMILES for (1R)-1-(5-bromo-1H-indol-3-yl)ethanamine is C[C@@H](N)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (1R)-1-(5-bromo-1H-indol-3-yl)ethanamine?
The InChIKey is VEMBYRAOQDXUMU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-6,13H,12H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-1H-indol-3-yl)ethanamine?
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine has a molecular weight of 239.12 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 79018503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).