2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine

C12H19BrN2O — CID 61389630

IUPAC2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCNCc1cccc(Br)c1OCCN(C)C
InChIInChI=1S/C12H19BrN2O/c1-14-9-10-5-4-6-11(13)12(10)16-8-7-15(2)3/h4-6,14H,7-9H2,1-3H3
InChIKeySLPLFDNMVJFFCS-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.11
Rot. Bonds6

About 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine

2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine (PubChem CID 61389630) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
PubChem CID61389630
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
SMILESCNCc1cccc(Br)c1OCCN(C)C
InChIInChI=1S/C12H19BrN2O/c1-14-9-10-5-4-6-11(13)12(10)16-8-7-15(2)3/h4-6,14H,7-9H2,1-3H3
InChIKeySLPLFDNMVJFFCS-UHFFFAOYSA-N
XLogP2.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61390059
N-[[3-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 61390702
2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 61390167
1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 61390154
5-[2-bromo-6-(methylaminomethyl)phenoxy]pentanenitrile
CID 54966211
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
1-(3-bromo-2-prop-2-enoxyphenyl)-N-methylmethanamine
CID 61390299
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
1-[3-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 61390224
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 61390217
N-[[3-bromo-2-[2-(diethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 61390561
N,N-dimethyl-2-[[3-(methylaminomethyl)-2-pyridinyl]oxy]ethanamine
CID 62296479

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine (CID 61389630) is 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine is CNCc1cccc(Br)c1OCCN(C)C.
What is the InChIKey of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is SLPLFDNMVJFFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-14-9-10-5-4-6-11(13)12(10)16-8-7-15(2)3/h4-6,14H,7-9H2,1-3H3.
What are the key properties of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine?
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 287.20 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 61389630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).