2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide

C15H23BrN2O2 — CID 102947741

IUPAC2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide
SMILESCCNC(C)c1ccc(Br)cc1OCC(=O)N(C)CC
InChIInChI=1S/C15H23BrN2O2/c1-5-17-11(3)13-8-7-12(16)9-14(13)20-10-15(19)18(4)6-2/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyFKPOERLAHJPTKQ-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.98
Rot. Bonds7

About 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide

2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide (PubChem CID 102947741) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide
PubChem CID102947741
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide
SMILESCCNC(C)c1ccc(Br)cc1OCC(=O)N(C)CC
InChIInChI=1S/C15H23BrN2O2/c1-5-17-11(3)13-8-7-12(16)9-14(13)20-10-15(19)18(4)6-2/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyFKPOERLAHJPTKQ-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932238
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 102947684
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
2-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63640979
2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 102948484
1-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-3-methoxypropan-2-ol
CID 102947619
1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
CID 82976068
2-(4-bromo-2-carbamothioylphenoxy)-N-ethyl-N-methylacetamide
CID 83146158
1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947651
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82910581

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide (CID 102947741) is 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide is CCNC(C)c1ccc(Br)cc1OCC(=O)N(C)CC.
What is the InChIKey of 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide?
The InChIKey is FKPOERLAHJPTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-5-17-11(3)13-8-7-12(16)9-14(13)20-10-15(19)18(4)6-2/h7-9,11,17H,5-6,10H2,1-4H3.
What are the key properties of 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide?
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide has a molecular weight of 343.27 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 102947741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).