2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine

C13H17BrN2 — CID 84642807

IUPAC2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine
SMILESCNCCc1c(Br)c2cc(C)ccc2n1C
InChIInChI=1S/C13H17BrN2/c1-9-4-5-11-10(8-9)13(14)12(16(11)3)6-7-15-2/h4-5,8,15H,6-7H2,1-3H3
InChIKeyQPKSUSWFLUGUOE-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.01
Rot. Bonds3

About 2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine

2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine (PubChem CID 84642807) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine
PubChem CID84642807
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine
SMILESCNCCc1c(Br)c2cc(C)ccc2n1C
InChIInChI=1S/C13H17BrN2/c1-9-4-5-11-10(8-9)13(14)12(16(11)3)6-7-15-2/h4-5,8,15H,6-7H2,1-3H3
InChIKeyQPKSUSWFLUGUOE-UHFFFAOYSA-N
XLogP3.01
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine
CID 84622406
N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine
CID 84643930
2-(3-bromo-6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84646347
2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 84628695
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211
3-bromo-2-ethyl-1,6-dimethylindole
CID 84707620
1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine
CID 84711896
1-(5-bromo-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83866982
1-bromo-3,6,9-trimethylcarbazole
CID 174908796
N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 82495215
3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine
CID 70900489
1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262591

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine (CID 84642807) is 2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine is CNCCc1c(Br)c2cc(C)ccc2n1C.
What is the InChIKey of 2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine?
The InChIKey is QPKSUSWFLUGUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-9-4-5-11-10(8-9)13(14)12(16(11)3)6-7-15-2/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine?
2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine has a molecular weight of 281.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84642807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).