2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide

C13H19BrN2O2 — CID 43399003

IUPAC2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1cc(Br)ccc1OC
InChIInChI=1S/C13H19BrN2O2/c1-4-15-13(17)9(2)16-8-10-7-11(14)5-6-12(10)18-3/h5-7,9,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyVFMJTWXYSGXJOD-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.07
Rot. Bonds6

About 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide

2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide (PubChem CID 43399003) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide
PubChem CID43399003
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1cc(Br)ccc1OC
InChIInChI=1S/C13H19BrN2O2/c1-4-15-13(17)9(2)16-8-10-7-11(14)5-6-12(10)18-3/h5-7,9,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyVFMJTWXYSGXJOD-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60932132
2-[(5-bromo-2-methoxyphenyl)methylamino]propan-1-ol
CID 43499460
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
2-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 107738006
methyl 2-[(5-bromo-2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 43231106
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide
CID 43399013
N-(ethylcarbamoyl)-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43083660
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371768
2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide
CID 60695601
2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide
CID 115556585
(2R)-2-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119244111

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide (CID 43399003) is 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCc1cc(Br)ccc1OC.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide?
The InChIKey is VFMJTWXYSGXJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-4-15-13(17)9(2)16-8-10-7-11(14)5-6-12(10)18-3/h5-7,9,16H,4,8H2,1-3H3,(H,15,17).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide?
2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide has a molecular weight of 315.21 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide is sourced from PubChem (CID 43399003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).