2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine

C13H17BrN2 — CID 84642841

IUPAC2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine
SMILESCc1cc(C)c2[nH]c(C(C)(C)N)c(Br)c2c1
InChIInChI=1S/C13H17BrN2/c1-7-5-8(2)11-9(6-7)10(14)12(16-11)13(3,4)15/h5-6,16H,15H2,1-4H3
InChIKeyGGYWUXGVOSOCOM-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.74
Rot. Bonds1

About 2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine

2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine (PubChem CID 84642841) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine
PubChem CID84642841
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine
SMILESCc1cc(C)c2[nH]c(C(C)(C)N)c(Br)c2c1
InChIInChI=1S/C13H17BrN2/c1-7-5-8(2)11-9(6-7)10(14)12(16-11)13(3,4)15/h5-6,16H,15H2,1-4H3
InChIKeyGGYWUXGVOSOCOM-UHFFFAOYSA-N
XLogP3.74
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82397045
2-(2-bromo-4,6-dimethylphenyl)propan-2-amine
CID 84801577
2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine
CID 84642822
3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine
CID 84631671
4,6,8-trimethyl-1H-quinoline-2-thione
CID 2442311
1,3,6-trimethyl-9H-carbazole
CID 139213984
2-(2-bromo-3,5-dimethylphenyl)propan-2-ol
CID 84703706
3-[5,7-dimethyl-2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid
CID 84643492
(5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine
CID 84622450
4-[5,7-dimethyl-2-(3-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5140207
2-ethenyl-5,7-dimethyl-1H-indole
CID 121007476
2-(3-bromo-5-methylphenyl)propan-2-amine
CID 83710324

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine?
The IUPAC name of 2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine (CID 84642841) is 2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine?
The canonical SMILES for 2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine is Cc1cc(C)c2[nH]c(C(C)(C)N)c(Br)c2c1.
What is the InChIKey of 2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine?
The InChIKey is GGYWUXGVOSOCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-7-5-8(2)11-9(6-7)10(14)12(16-11)13(3,4)15/h5-6,16H,15H2,1-4H3.
What are the key properties of 2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine?
2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine has a molecular weight of 281.20 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine is sourced from PubChem (CID 84642841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).