1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine

C13H21BrN2O — CID 82975510

IUPAC1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1OCCN(C)C
InChIInChI=1S/C13H21BrN2O/c1-10(15-2)12-6-5-11(14)9-13(12)17-8-7-16(3)4/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyCHZHLQHKUHYLFA-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.67
Rot. Bonds6

About 1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine

1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine (PubChem CID 82975510) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine
PubChem CID82975510
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1OCCN(C)C
InChIInChI=1S/C13H21BrN2O/c1-10(15-2)12-6-5-11(14)9-13(12)17-8-7-16(3)4/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyCHZHLQHKUHYLFA-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82976384
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82975362
5-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 102947337
1-(4-bromo-2-prop-2-enoxyphenyl)-N-methylethanamine
CID 102947422
1-[4-bromo-2-(2-butoxyethoxy)phenyl]-N-methylethanamine
CID 82976374
N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 82955315
1-[4-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]-N-methylethanamine
CID 102947408
1-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]-3-methoxypropan-2-ol
CID 102947332
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
CID 63367823
1-[4-bromo-2-[(3,4-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
CID 102947591
1-[4-bromo-2-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947360
N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 43277624

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine (CID 82975510) is 1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(Br)cc1OCCN(C)C.
What is the InChIKey of 1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine?
The InChIKey is CHZHLQHKUHYLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-10(15-2)12-6-5-11(14)9-13(12)17-8-7-16(3)4/h5-6,9-10,15H,7-8H2,1-4H3.
What are the key properties of 1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine?
1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine has a molecular weight of 301.23 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 82975510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).