2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide

C13H18BrNO2 — CID 107903015

IUPAC2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)C(C)Br
InChIInChI=1S/C13H18BrNO2/c1-9-5-6-12(17-4)11(7-9)8-15(3)13(16)10(2)14/h5-7,10H,8H2,1-4H3
InChIKeyYHLKIDJFFQATCL-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.75
Rot. Bonds4

About 2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide

2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide (PubChem CID 107903015) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
PubChem CID107903015
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)C(C)Br
InChIInChI=1S/C13H18BrNO2/c1-9-5-6-12(17-4)11(7-9)8-15(3)13(16)10(2)14/h5-7,10H,8H2,1-4H3
InChIKeyYHLKIDJFFQATCL-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
3-amino-4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64896727
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115287016
5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide
CID 82011236
2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 61258818
N-[(2R)-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30171573
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
(2R)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 39968005
(2S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 31564062
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide (CID 107903015) is 2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide is COc1ccc(C)cc1CN(C)C(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide?
The InChIKey is YHLKIDJFFQATCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9-5-6-12(17-4)11(7-9)8-15(3)13(16)10(2)14/h5-7,10H,8H2,1-4H3.
What are the key properties of 2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide?
2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide has a molecular weight of 300.20 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 107903015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).