(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine

C13H17BrN2 — CID 171206282

IUPAC(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
SMILESCCCC[C@@H](N)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H17BrN2/c1-2-3-4-12(15)11-8-16-13-6-5-9(14)7-10(11)13/h5-8,12,16H,2-4,15H2,1H3/t12-/m1/s1
InChIKeyAFCIYXDMGJHFMI-GFCCVEGCSA-N
MW281.20 g/mol
LogP4.12
Rot. Bonds4

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

(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine (PubChem CID 171206282) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is (1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
PubChem CID171206282
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
SMILESCCCC[C@@H](N)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H17BrN2/c1-2-3-4-12(15)11-8-16-13-6-5-9(14)7-10(11)13/h5-8,12,16H,2-4,15H2,1H3/t12-/m1/s1
InChIKeyAFCIYXDMGJHFMI-GFCCVEGCSA-N
XLogP4.12
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 54.12
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
(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 97297266
(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine
CID 171225867
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
CID 171206288
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid
CID 71223546

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine?
The IUPAC name of (1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine (CID 171206282) is (1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine.
What is the SMILES notation for (1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine?
The canonical SMILES for (1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine is CCCC[C@@H](N)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine?
The InChIKey is AFCIYXDMGJHFMI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-2-3-4-12(15)11-8-16-13-6-5-9(14)7-10(11)13/h5-8,12,16H,2-4,15H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine?
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine has a molecular weight of 281.20 g/mol, XLogP of 4.12, 4 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)pentan-1-amine is sourced from PubChem (CID 171206282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).