N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide

C13H19BrN2O — CID 154754676

IUPACN-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide
SMILESCc1cc(Br)ccc1CN(C)C(=O)CN(C)C
InChIInChI=1S/C13H19BrN2O/c1-10-7-12(14)6-5-11(10)8-16(4)13(17)9-15(2)3/h5-7H,8-9H2,1-4H3
InChIKeyRJFVHPMZFGEPDI-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.28
Rot. Bonds4

About N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide

N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide (PubChem CID 154754676) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide
PubChem CID154754676
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide
SMILESCc1cc(Br)ccc1CN(C)C(=O)CN(C)C
InChIInChI=1S/C13H19BrN2O/c1-10-7-12(14)6-5-11(10)8-16(4)13(17)9-15(2)3/h5-7H,8-9H2,1-4H3
InChIKeyRJFVHPMZFGEPDI-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 122142220
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
3-[[2-(4-bromo-2-methylphenyl)acetyl]-methylamino]propanoic acid
CID 120525052
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-bromobenzoate
CID 18196850
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
3-(4-bromo-2-methylphenyl)propanoic acid
CID 69202839
ethyl 3-(4-bromo-2-methylphenyl)propanoate
CID 124705554
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882426
1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
CID 115169289
N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158503

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide?
The IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide (CID 154754676) is N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide is Cc1cc(Br)ccc1CN(C)C(=O)CN(C)C.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide?
The InChIKey is RJFVHPMZFGEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-7-12(14)6-5-11(10)8-16(4)13(17)9-15(2)3/h5-7H,8-9H2,1-4H3.
What are the key properties of N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide?
N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide has a molecular weight of 299.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide is sourced from PubChem (CID 154754676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).