2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide

C14H21BrN2O2 — CID 102946716

IUPAC2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cc(Br)ccc1[C@@H](C)N
InChIInChI=1S/C14H21BrN2O2/c1-4-9(2)17-14(18)8-19-13-7-11(15)5-6-12(13)10(3)16/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18)/t9?,10-/m1/s1
InChIKeyNXWSOJDQZWULFL-QVDQXJPCSA-N
MW329.24 g/mol
LogP2.76
Rot. Bonds6

About 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide

2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide (PubChem CID 102946716) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide
PubChem CID102946716
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cc(Br)ccc1[C@@H](C)N
InChIInChI=1S/C14H21BrN2O2/c1-4-9(2)17-14(18)8-19-13-7-11(15)5-6-12(13)10(3)16/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18)/t9?,10-/m1/s1
InChIKeyNXWSOJDQZWULFL-QVDQXJPCSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide
CID 102946264
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 102946796
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-butan-2-ylacetamide
CID 43083056
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-2-ylacetamide
CID 78935876
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 43277522
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine
CID 102946785
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63639918
2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide
CID 115919130
2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide
CID 60773244
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide (CID 102946716) is 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1cc(Br)ccc1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide?
The InChIKey is NXWSOJDQZWULFL-QVDQXJPCSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-4-9(2)17-14(18)8-19-13-7-11(15)5-6-12(13)10(3)16/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18)/t9?,10-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide?
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide has a molecular weight of 329.24 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide is sourced from PubChem (CID 102946716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).