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

C12H19BrN2 — CID 43280334

IUPAC5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
SMILESCCN(CC)c1cc(Br)ccc1CNC
InChIInChI=1S/C12H19BrN2/c1-4-15(5-2)12-8-11(13)7-6-10(12)9-14-3/h6-8,14H,4-5,9H2,1-3H3
InChIKeyJCHGKACKLCYLEK-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.01
Rot. Bonds5

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

5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline (PubChem CID 43280334) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
PubChem CID43280334
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
SMILESCCN(CC)c1cc(Br)ccc1CNC
InChIInChI=1S/C12H19BrN2/c1-4-15(5-2)12-8-11(13)7-6-10(12)9-14-3/h6-8,14H,4-5,9H2,1-3H3
InChIKeyJCHGKACKLCYLEK-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54949226
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259
5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 63551959
5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline
CID 43281950
5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
CID 43280941
2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
CID 113467895
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
N'-[5-bromo-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63700074
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
4-bromo-2-(diethylamino)phenol
CID 174675295

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline?
The IUPAC name of 5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline (CID 43280334) is 5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for 5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline?
The canonical SMILES for 5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline is CCN(CC)c1cc(Br)ccc1CNC.
What is the InChIKey of 5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline?
The InChIKey is JCHGKACKLCYLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-4-15(5-2)12-8-11(13)7-6-10(12)9-14-3/h6-8,14H,4-5,9H2,1-3H3.
What are the key properties of 5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline?
5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline has a molecular weight of 271.20 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 43280334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).