(2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine

C13H17BrN2 — CID 57060481

IUPAC(2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cn1ccc2ccc(Br)cc21)N(C)C
InChIInChI=1S/C13H17BrN2/c1-10(15(2)3)9-16-7-6-11-4-5-12(14)8-13(11)16/h4-8,10H,9H2,1-3H3/t10-/m1/s1
InChIKeyPXUAVBFTINMBPZ-SNVBAGLBSA-N
MW281.20 g/mol
LogP3.35
Rot. Bonds3

About (2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine

(2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine (PubChem CID 57060481) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is (2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine
PubChem CID57060481
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name(2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cn1ccc2ccc(Br)cc21)N(C)C
InChIInChI=1S/C13H17BrN2/c1-10(15(2)3)9-16-7-6-11-4-5-12(14)8-13(11)16/h4-8,10H,9H2,1-3H3/t10-/m1/s1
InChIKeyPXUAVBFTINMBPZ-SNVBAGLBSA-N
XLogP3.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine?
The IUPAC name of (2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine (CID 57060481) is (2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for (2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for (2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine is C[C@H](Cn1ccc2ccc(Br)cc21)N(C)C.
What is the InChIKey of (2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine?
The InChIKey is PXUAVBFTINMBPZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-10(15(2)3)9-16-7-6-11-4-5-12(14)8-13(11)16/h4-8,10H,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine?
(2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine has a molecular weight of 281.20 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 57060481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).