2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide

C15H21BrN2O2 — CID 115960915

IUPAC2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide
SMILESCc1cc(Br)cc(CN)c1OCC(=O)NC1CCCC1
InChIInChI=1S/C15H21BrN2O2/c1-10-6-12(16)7-11(8-17)15(10)20-9-14(19)18-13-4-2-3-5-13/h6-7,13H,2-5,8-9,17H2,1H3,(H,18,19)
InChIKeyYMRVLAXDKAPFHQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.65
Rot. Bonds5

About 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide

2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide (PubChem CID 115960915) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide
PubChem CID115960915
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide
SMILESCc1cc(Br)cc(CN)c1OCC(=O)NC1CCCC1
InChIInChI=1S/C15H21BrN2O2/c1-10-6-12(16)7-11(8-17)15(10)20-9-14(19)18-13-4-2-3-5-13/h6-7,13H,2-5,8-9,17H2,1H3,(H,18,19)
InChIKeyYMRVLAXDKAPFHQ-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
2-[2-(aminomethyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 112607289
5-bromo-2-[2-(cyclopropylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 112620836
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-prop-2-enylacetamide
CID 112619909
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 112620994
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
CID 65473029
2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide
CID 43351708
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 65470752
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-ethylacetamide
CID 112621650
[2-(cyclooctylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24817967
4-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-methylbutanamide
CID 112619951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide (CID 115960915) is 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide is Cc1cc(Br)cc(CN)c1OCC(=O)NC1CCCC1.
What is the InChIKey of 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide?
The InChIKey is YMRVLAXDKAPFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-6-12(16)7-11(8-17)15(10)20-9-14(19)18-13-4-2-3-5-13/h6-7,13H,2-5,8-9,17H2,1H3,(H,18,19).
What are the key properties of 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide?
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide has a molecular weight of 341.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide is sourced from PubChem (CID 115960915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).