3-amino-N-(2-bromophenyl)-N-methylbutanamide

C11H15BrN2O — CID 115154147

IUPAC3-amino-N-(2-bromophenyl)-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)c1ccccc1Br
InChIInChI=1S/C11H15BrN2O/c1-8(13)7-11(15)14(2)10-6-4-3-5-9(10)12/h3-6,8H,7,13H2,1-2H3
InChIKeyYWGIYZOQDAVOAG-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.15
Rot. Bonds3

About 3-amino-N-(2-bromophenyl)-N-methylbutanamide

3-amino-N-(2-bromophenyl)-N-methylbutanamide (PubChem CID 115154147) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-amino-N-(2-bromophenyl)-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-bromophenyl)-N-methylbutanamide
PubChem CID115154147
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-amino-N-(2-bromophenyl)-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)c1ccccc1Br
InChIInChI=1S/C11H15BrN2O/c1-8(13)7-11(15)14(2)10-6-4-3-5-9(10)12/h3-6,8H,7,13H2,1-2H3
InChIKeyYWGIYZOQDAVOAG-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83548486
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CID 115163855
3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115154101
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
2-(2-bromo-N-methylanilino)butanedioic acid
CID 115144355
2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide
CID 146415746
2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
CID 82021054
1-(2-bromo-N-methylanilino)propan-2-ol
CID 82117993
3-amino-N-methyl-N-(3-methylthiophen-2-yl)butanamide
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2-bromo-N-methyl-N-propan-2-ylaniline
CID 53401387

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromophenyl)-N-methylbutanamide?
The IUPAC name of 3-amino-N-(2-bromophenyl)-N-methylbutanamide (CID 115154147) is 3-amino-N-(2-bromophenyl)-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2-bromophenyl)-N-methylbutanamide?
The canonical SMILES for 3-amino-N-(2-bromophenyl)-N-methylbutanamide is CC(N)CC(=O)N(C)c1ccccc1Br.
What is the InChIKey of 3-amino-N-(2-bromophenyl)-N-methylbutanamide?
The InChIKey is YWGIYZOQDAVOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(13)7-11(15)14(2)10-6-4-3-5-9(10)12/h3-6,8H,7,13H2,1-2H3.
What are the key properties of 3-amino-N-(2-bromophenyl)-N-methylbutanamide?
3-amino-N-(2-bromophenyl)-N-methylbutanamide has a molecular weight of 271.16 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromophenyl)-N-methylbutanamide is sourced from PubChem (CID 115154147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).