3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine

C13H17BrN2 — CID 11426012

IUPAC3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H17BrN2/c1-16(2)7-3-4-10-9-15-13-6-5-11(14)8-12(10)13/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyCWBLXTSHHIRUMP-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.42
Rot. Bonds4

About 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine

3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine (PubChem CID 11426012) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine
PubChem CID11426012
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H17BrN2/c1-16(2)7-3-4-10-9-15-13-6-5-11(14)8-12(10)13/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyCWBLXTSHHIRUMP-UHFFFAOYSA-N
XLogP3.42
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine (CID 11426012) is 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is CWBLXTSHHIRUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-16(2)7-3-4-10-9-15-13-6-5-11(14)8-12(10)13/h5-6,8-9,15H,3-4,7H2,1-2H3.
What are the key properties of 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine?
3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 281.20 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 11426012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).