5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline

C10H15BrN2 — CID 43281259

IUPAC5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
SMILESCNCc1ccc(Br)cc1N(C)C
InChIInChI=1S/C10H15BrN2/c1-12-7-8-4-5-9(11)6-10(8)13(2)3/h4-6,12H,7H2,1-3H3
InChIKeyHHFVLHXURARKQE-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.23
Rot. Bonds3

About 5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline

5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline (PubChem CID 43281259) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
PubChem CID43281259
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
SMILESCNCc1ccc(Br)cc1N(C)C
InChIInChI=1S/C10H15BrN2/c1-12-7-8-4-5-9(11)6-10(8)13(2)3/h4-6,12H,7H2,1-3H3
InChIKeyHHFVLHXURARKQE-UHFFFAOYSA-N
XLogP2.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline
CID 43281950
N'-[5-bromo-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63700074
5-bromo-2-(chloromethyl)-N,N-dimethylaniline;hydrochloride
CID 173377979
5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 63551959
5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442401
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54949226
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
CID 43280941
2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
CID 113467895
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline
CID 63683349

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline?
The IUPAC name of 5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline (CID 43281259) is 5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for 5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline?
The canonical SMILES for 5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline is CNCc1ccc(Br)cc1N(C)C.
What is the InChIKey of 5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline?
The InChIKey is HHFVLHXURARKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-12-7-8-4-5-9(11)6-10(8)13(2)3/h4-6,12H,7H2,1-3H3.
What are the key properties of 5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline?
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline has a molecular weight of 243.15 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 43281259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).