2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide

C15H23BrN2O2 — CID 43277522

IUPAC2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide
SMILESCCNCc1cc(Br)ccc1OCC(=O)NC(C)CC
InChIInChI=1S/C15H23BrN2O2/c1-4-11(3)18-15(19)10-20-14-7-6-13(16)8-12(14)9-17-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyQSQBBNMHGKDXHI-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.85
Rot. Bonds8

About 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide

2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide (PubChem CID 43277522) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide
PubChem CID43277522
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide
SMILESCCNCc1cc(Br)ccc1OCC(=O)NC(C)CC
InChIInChI=1S/C15H23BrN2O2/c1-4-11(3)18-15(19)10-20-14-7-6-13(16)8-12(14)9-17-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyQSQBBNMHGKDXHI-UHFFFAOYSA-N
XLogP2.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-butan-2-ylacetamide
CID 43083056
N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
CID 43277958
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63056502
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide
CID 102946716
2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053771
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide
CID 107695704
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053907
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-butan-2-ylpropanamide
CID 55948157

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide?
The IUPAC name of 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide (CID 43277522) is 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide is CCNCc1cc(Br)ccc1OCC(=O)NC(C)CC.
What is the InChIKey of 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide?
The InChIKey is QSQBBNMHGKDXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-11(3)18-15(19)10-20-14-7-6-13(16)8-12(14)9-17-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide?
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide has a molecular weight of 343.27 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide is sourced from PubChem (CID 43277522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).