2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide

C13H20BrN3O — CID 65343338

IUPAC2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(Br)ccc1N
InChIInChI=1S/C13H20BrN3O/c1-4-7-17(9-13(18)16(2)3)12-8-10(14)5-6-11(12)15/h5-6,8H,4,7,9,15H2,1-3H3
InChIKeyPZEHRBBIQBJODQ-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.34
Rot. Bonds5

About 2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide

2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide (PubChem CID 65343338) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide
PubChem CID65343338
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(Br)ccc1N
InChIInChI=1S/C13H20BrN3O/c1-4-7-17(9-13(18)16(2)3)12-8-10(14)5-6-11(12)15/h5-6,8H,4,7,9,15H2,1-3H3
InChIKeyPZEHRBBIQBJODQ-UHFFFAOYSA-N
XLogP2.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine
CID 65341551
2-(2-amino-4-nitro-N-propylanilino)-N,N-dimethylacetamide
CID 62506474
4-bromo-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 61448927
2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide
CID 79177065
4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine
CID 65341463
2-[4-amino-3-(cyanomethyl)-N-propylanilino]-N,N-dimethylacetamide
CID 102624101
2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
CID 63081456
4-amino-3-(dipropylamino)benzoic acid
CID 82791278
2-(2-amino-4-bromo-N-propylanilino)ethanol
CID 61424928
2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 82899999
2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide
CID 104533692
ethyl 2-[4-bromo-N-propyl-2-(trifluoromethyl)anilino]acetate
CID 65483634

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide (CID 65343338) is 2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1cc(Br)ccc1N.
What is the InChIKey of 2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide?
The InChIKey is PZEHRBBIQBJODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-4-7-17(9-13(18)16(2)3)12-8-10(14)5-6-11(12)15/h5-6,8H,4,7,9,15H2,1-3H3.
What are the key properties of 2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide?
2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide has a molecular weight of 314.23 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 65343338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).