(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride

C13H16BrClN2 — CID 171206288

IUPAC(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN2.ClH/c14-9-3-4-13-10(6-9)11(7-16-13)12(15)5-8-1-2-8;/h3-4,6-8,12,16H,1-2,5,15H2;1H/t12-;/m1./s1
InChIKeyXHAUHIQEYOZHCI-UTONKHPSSA-N
MW315.64 g/mol
LogP4.15
Rot. Bonds3

About (1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride

(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride (PubChem CID 171206288) has the molecular formula C13H16BrClN2 and a molecular weight of 315.64 g/mol. Its IUPAC name is (1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
PubChem CID171206288
Molecular FormulaC13H16BrClN2
Molecular Weight315.64 g/mol
Exact Mass314.02
IUPAC Name(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN2.ClH/c14-9-3-4-13-10(6-9)11(7-16-13)12(15)5-8-1-2-8;/h3-4,6-8,12,16H,1-2,5,15H2;1H/t12-;/m1./s1
InChIKeyXHAUHIQEYOZHCI-UTONKHPSSA-N
XLogP4.15
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.64
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608
(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine
CID 171225867
(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 97297266
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427
[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid
CID 71223546
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
5-bromo-3-(cyclobutylmethyl)-1H-indole
CID 106985526
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride?
The IUPAC name of (1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride (CID 171206288) is (1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride is Cl.N[C@H](CC1CC1)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride?
The InChIKey is XHAUHIQEYOZHCI-UTONKHPSSA-N. The full InChI is InChI=1S/C13H15BrN2.ClH/c14-9-3-4-13-10(6-9)11(7-16-13)12(15)5-8-1-2-8;/h3-4,6-8,12,16H,1-2,5,15H2;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride?
(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride has a molecular weight of 315.64 g/mol, XLogP of 4.15, 3 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)-2-cyclopropylethanamine;hydrochloride is sourced from PubChem (CID 171206288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).