2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide

C12H18BrN3O — CID 55103559

IUPAC2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)CN(C)CCN)ccc1Br
InChIInChI=1S/C12H18BrN3O/c1-9-7-10(3-4-11(9)13)15-12(17)8-16(2)6-5-14/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyPWOOLJMXOVLCME-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.59
Rot. Bonds5

About 2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide

2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide (PubChem CID 55103559) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
PubChem CID55103559
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)CN(C)CCN)ccc1Br
InChIInChI=1S/C12H18BrN3O/c1-9-7-10(3-4-11(9)13)15-12(17)8-16(2)6-5-14/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyPWOOLJMXOVLCME-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 62687003
N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
CID 109006163
N-(4-bromo-3-methylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 34431719
N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964685
N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 2438529
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
CID 62686648
2-[2-aminoethyl(methyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 62687733
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008549
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 40760060
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide (CID 55103559) is 2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide is Cc1cc(NC(=O)CN(C)CCN)ccc1Br.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide?
The InChIKey is PWOOLJMXOVLCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-9-7-10(3-4-11(9)13)15-12(17)8-16(2)6-5-14/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide?
2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide has a molecular weight of 300.20 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide is sourced from PubChem (CID 55103559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).