2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide

C11H15BrN2O — CID 116850260

IUPAC2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(N)Cc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-14(2)11(15)10(13)7-8-4-3-5-9(12)6-8/h3-6,10H,7,13H2,1-2H3
InChIKeyLAXNVXZMQVXVGK-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.41
Rot. Bonds3

About 2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide

2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide (PubChem CID 116850260) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide
PubChem CID116850260
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(N)Cc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-14(2)11(15)10(13)7-8-4-3-5-9(12)6-8/h3-6,10H,7,13H2,1-2H3
InChIKeyLAXNVXZMQVXVGK-UHFFFAOYSA-N
XLogP1.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-(3-bromophenyl)propanamide
CID 104512986
methyl 2-[(3-bromophenyl)methyl]-3-oxobutanoate
CID 19764144
(3-bromophenyl)methyl (2R)-2-aminobutanoate
CID 82823732
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
4-[2-amino-3-(3-bromophenyl)propanoyl]piperazine-2,6-dione
CID 166318618
2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286812
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616
4-(3-bromophenyl)-3-methylbutanoic acid
CID 67126232
(2S)-2-(aminomethyl)-3-(3-bromophenyl)propanoic acid
CID 11962264
5-(3-bromophenyl)-4-methylpentan-2-amine
CID 64719403

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide?
The IUPAC name of 2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide (CID 116850260) is 2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide is CN(C)C(=O)C(N)Cc1cccc(Br)c1.
What is the InChIKey of 2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide?
The InChIKey is LAXNVXZMQVXVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-14(2)11(15)10(13)7-8-4-3-5-9(12)6-8/h3-6,10H,7,13H2,1-2H3.
What are the key properties of 2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide?
2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide has a molecular weight of 271.16 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-bromophenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 116850260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).