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

C15H23BrN2O2 — CID 115960904

IUPAC2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide
SMILESCc1cc(Br)cc(CN)c1OC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23BrN2O2/c1-9-6-12(16)7-11(8-17)13(9)20-10(2)14(19)18-15(3,4)5/h6-7,10H,8,17H2,1-5H3,(H,18,19)
InChIKeyLHBFXFGXVNAYKF-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.90
Rot. Bonds4

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

2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide (PubChem CID 115960904) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide
PubChem CID115960904
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide
SMILESCc1cc(Br)cc(CN)c1OC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23BrN2O2/c1-9-6-12(16)7-11(8-17)13(9)20-10(2)14(19)18-15(3,4)5/h6-7,10H,8,17H2,1-5H3,(H,18,19)
InChIKeyLHBFXFGXVNAYKF-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115962241
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide
CID 115957613
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]propanoic acid
CID 115962678
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 115961088
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide
CID 115962935
3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide
CID 112619816
ethyl 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]pentanoate
CID 115960928
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-butan-2-ylpropanamide
CID 115962149
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 115961104
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide
CID 79842993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide (CID 115960904) is 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide is Cc1cc(Br)cc(CN)c1OC(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide?
The InChIKey is LHBFXFGXVNAYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-9-6-12(16)7-11(8-17)13(9)20-10(2)14(19)18-15(3,4)5/h6-7,10H,8,17H2,1-5H3,(H,18,19).
What are the key properties of 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide?
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide has a molecular weight of 343.27 g/mol, XLogP of 2.90, 4 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-tert-butylpropanamide is sourced from PubChem (CID 115960904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).