2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide

C11H16BrN3O — CID 103101438

IUPAC2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)Cc1ccc(N)cc1Br
InChIInChI=1S/C11H16BrN3O/c1-2-15(7-11(14)16)6-8-3-4-9(13)5-10(8)12/h3-5H,2,6-7,13H2,1H3,(H2,14,16)
InChIKeyBNCSZBXRTLRDED-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.34
Rot. Bonds5

About 2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide

2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide (PubChem CID 103101438) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide
PubChem CID103101438
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)Cc1ccc(N)cc1Br
InChIInChI=1S/C11H16BrN3O/c1-2-15(7-11(14)16)6-8-3-4-9(13)5-10(8)12/h3-5H,2,6-7,13H2,1H3,(H2,14,16)
InChIKeyBNCSZBXRTLRDED-UHFFFAOYSA-N
XLogP1.34
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-2-bromophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 60792944
3-bromo-4-(diethylaminomethyl)aniline
CID 60795845
N'-[(4-amino-2-bromophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991581
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide
CID 103104513
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
methyl 4-[[(2-amino-2-oxoethyl)-butylamino]methyl]-3-bromobenzoate
CID 102767418
2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 64769835
ethyl 2-(4-amino-2-bromophenyl)acetate
CID 170997064
2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide
CID 103104516
4-[[benzyl(propyl)amino]methyl]-3-bromoaniline
CID 60792626
2-[ethyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 88657725
3-bromo-4-[[methyl(2-methylbutan-2-yl)amino]methyl]aniline
CID 63983056

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide?
The IUPAC name of 2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide (CID 103101438) is 2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide?
The canonical SMILES for 2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide is CCN(CC(N)=O)Cc1ccc(N)cc1Br.
What is the InChIKey of 2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide?
The InChIKey is BNCSZBXRTLRDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-2-15(7-11(14)16)6-8-3-4-9(13)5-10(8)12/h3-5H,2,6-7,13H2,1H3,(H2,14,16).
What are the key properties of 2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide?
2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide has a molecular weight of 286.17 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 103101438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).