2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine

C15H16BrN3 — CID 5324375

IUPAC2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1nccc2c1[nH]c1cc(Br)ccc12
InChIInChI=1S/C15H16BrN3/c1-19(2)8-6-13-15-12(5-7-17-13)11-4-3-10(16)9-14(11)18-15/h3-5,7,9,18H,6,8H2,1-2H3
InChIKeyIDDFVLLJLZRGBJ-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.58
Rot. Bonds3

About 2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine

2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine (PubChem CID 5324375) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine
PubChem CID5324375
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1nccc2c1[nH]c1cc(Br)ccc12
InChIInChI=1S/C15H16BrN3/c1-19(2)8-6-13-15-12(5-7-17-13)11-4-3-10(16)9-14(11)18-15/h3-5,7,9,18H,6,8H2,1-2H3
InChIKeyIDDFVLLJLZRGBJ-UHFFFAOYSA-N
XLogP3.58
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine (CID 5324375) is 2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine is CN(C)CCc1nccc2c1[nH]c1cc(Br)ccc12.
What is the InChIKey of 2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine?
The InChIKey is IDDFVLLJLZRGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-19(2)8-6-13-15-12(5-7-17-13)11-4-3-10(16)9-14(11)18-15/h3-5,7,9,18H,6,8H2,1-2H3.
What are the key properties of 2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine?
2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine has a molecular weight of 318.22 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 5324375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).