N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide

C13H19BrN2O — CID 54869193

IUPACN-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-15-9-5-8-13(17)16(2)10-11-6-3-4-7-12(11)14/h3-4,6-7,15H,5,8-10H2,1-2H3
InChIKeyIOFNWTXWFYCDGN-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.41
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide

N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide (PubChem CID 54869193) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
PubChem CID54869193
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-15-9-5-8-13(17)16(2)10-11-6-3-4-7-12(11)14/h3-4,6-7,15H,5,8-10H2,1-2H3
InChIKeyIOFNWTXWFYCDGN-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232
N-[4-[(2-bromophenyl)methyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46429667
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119780688
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 115155762
3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide
CID 120500697
N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 134018541

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide (CID 54869193) is N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide?
The InChIKey is IOFNWTXWFYCDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-15-9-5-8-13(17)16(2)10-11-6-3-4-7-12(11)14/h3-4,6-7,15H,5,8-10H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide?
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide has a molecular weight of 299.21 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 54869193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).