3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide

C13H19BrN2O — CID 115153894

IUPAC3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide
SMILESCC(CN)C(=O)N(C)CCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10(9-15)13(17)16(2)7-6-11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9,15H2,1-2H3
InChIKeyDFLUWTRWNGRYNP-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.04
Rot. Bonds5

About 3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide

3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide (PubChem CID 115153894) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide
PubChem CID115153894
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide
SMILESCC(CN)C(=O)N(C)CCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10(9-15)13(17)16(2)7-6-11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9,15H2,1-2H3
InChIKeyDFLUWTRWNGRYNP-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115180860
3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
CID 115154426
1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190038
N-[2-(3-bromophenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168103
N-[2-(3-bromophenyl)ethyl]-2-cyano-N-methylacetamide
CID 82134700
4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide
CID 115157634
5-[2-(3-bromophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 115163898
3-[2-(3-bromophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042488
N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202853
3-amino-2-hydroxy-N-methyl-N-(2-phenylethyl)propanamide
CID 115180819
3-[2-(3-bromophenyl)ethyl-methylamino]cyclobutane-1-carboxylic acid
CID 117043036
4-amino-1-[2-(3-bromophenyl)ethyl-methylamino]butan-2-ol
CID 117039318

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide (CID 115153894) is 3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide is CC(CN)C(=O)N(C)CCc1cccc(Br)c1.
What is the InChIKey of 3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide?
The InChIKey is DFLUWTRWNGRYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(9-15)13(17)16(2)7-6-11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9,15H2,1-2H3.
What are the key properties of 3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide?
3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide has a molecular weight of 299.21 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 115153894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).