2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide

C15H23BrN2O2 — CID 102946796

IUPAC2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1cc(Br)ccc1[C@@H](C)N
InChIInChI=1S/C15H23BrN2O2/c1-10(2)6-7-18-15(19)9-20-14-8-12(16)4-5-13(14)11(3)17/h4-5,8,10-11H,6-7,9,17H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyFIAQDUWXMMPNJO-LLVKDONJSA-N
MW343.27 g/mol
LogP3.01
Rot. Bonds7

About 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide

2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide (PubChem CID 102946796) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
PubChem CID102946796
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1cc(Br)ccc1[C@@H](C)N
InChIInChI=1S/C15H23BrN2O2/c1-10(2)6-7-18-15(19)9-20-14-8-12(16)4-5-13(14)11(3)17/h4-5,8,10-11H,6-7,9,17H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyFIAQDUWXMMPNJO-LLVKDONJSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 61487161
2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
CID 61486605
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide
CID 102946716
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide
CID 102946264
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 63066535
2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 65216681
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-prop-2-ynylacetamide
CID 62369865

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide (CID 102946796) is 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1cc(Br)ccc1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide?
The InChIKey is FIAQDUWXMMPNJO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10(2)6-7-18-15(19)9-20-14-8-12(16)4-5-13(14)11(3)17/h4-5,8,10-11H,6-7,9,17H2,1-3H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide?
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide has a molecular weight of 343.27 g/mol, XLogP of 3.01, 7 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 102946796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).