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

C12H15BrN2 — CID 84711896

IUPAC1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine
SMILESCNCc1ccc2c(c1)c(Br)c(C)n2C
InChIInChI=1S/C12H15BrN2/c1-8-12(13)10-6-9(7-14-2)4-5-11(10)15(8)3/h4-6,14H,7H2,1-3H3
InChIKeyQWRDYKSHGWTFFT-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.97
Rot. Bonds2

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

1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine (PubChem CID 84711896) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine
PubChem CID84711896
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine
SMILESCNCc1ccc2c(c1)c(Br)c(C)n2C
InChIInChI=1S/C12H15BrN2/c1-8-12(13)10-6-9(7-14-2)4-5-11(10)15(8)3/h4-6,14H,7H2,1-3H3
InChIKeyQWRDYKSHGWTFFT-UHFFFAOYSA-N
XLogP2.97
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[9-(2-bromoethyl)carbazol-3-yl]-N-methylmethanamine
CID 58181084
1-(3-bromo-1-methylindol-6-yl)-N-methylmethanamine
CID 83900734
1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
CID 82494517
1-(5-bromo-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83866982
1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine
CID 115943540
1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine
CID 65177840
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211
2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine
CID 84642807
1-[3-bromo-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylmethanamine
CID 102773751
N-methyl-1-(1-methylindazol-5-yl)methanamine
CID 82598913
1-bromo-6-(methylaminomethyl)naphthalen-2-ol
CID 69137575
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine (CID 84711896) is 1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine is CNCc1ccc2c(c1)c(Br)c(C)n2C.
What is the InChIKey of 1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine?
The InChIKey is QWRDYKSHGWTFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-8-12(13)10-6-9(7-14-2)4-5-11(10)15(8)3/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine?
1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine has a molecular weight of 267.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 84711896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).