N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline

C16H18BrNO — CID 55026790

IUPACN-[2-(4-bromophenoxy)ethyl]-N-ethylaniline
SMILESCCN(CCOc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H18BrNO/c1-2-18(15-6-4-3-5-7-15)12-13-19-16-10-8-14(17)9-11-16/h3-11H,2,12-13H2,1H3
InChIKeyQHDGVQPBNBYMEY-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.35
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline

N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline (PubChem CID 55026790) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-ethylaniline
PubChem CID55026790
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-ethylaniline
SMILESCCN(CCOc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H18BrNO/c1-2-18(15-6-4-3-5-7-15)12-13-19-16-10-8-14(17)9-11-16/h3-11H,2,12-13H2,1H3
InChIKeyQHDGVQPBNBYMEY-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
[4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium
CID 54226224
4-[2-(N-ethylanilino)ethoxy]-2-methylaniline
CID 39369760
N-[2-(4-chlorophenoxy)ethyl]-N-ethylaniline;oxirane
CID 88818117
N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline
CID 21019332
N-(4-butoxyphenyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 54806162
2-N-[2-(4-bromophenoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 63230197
N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline
CID 54482087
N-[(4-bromophenyl)methyl]-N-ethylaniline
CID 60683468
[4-[2-[N-[2-(4-acetyloxyphenoxy)ethyl]anilino]ethoxy]phenyl] acetate
CID 71736094
N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915009
5-[2-(4-bromophenoxy)ethyl-ethylamino]pyrazine-2-carbonitrile
CID 133492593

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline (CID 55026790) is N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline is CCN(CCOc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline?
The InChIKey is QHDGVQPBNBYMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-2-18(15-6-4-3-5-7-15)12-13-19-16-10-8-14(17)9-11-16/h3-11H,2,12-13H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline?
N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline has a molecular weight of 320.23 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline is sourced from PubChem (CID 55026790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).