N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide

C14H19BrN2O — CID 115158503

IUPACN-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide
SMILESCc1ccc(Br)cc1CN(C)C(=O)CNC1CC1
InChIInChI=1S/C14H19BrN2O/c1-10-3-4-12(15)7-11(10)9-17(2)14(18)8-16-13-5-6-13/h3-4,7,13,16H,5-6,8-9H2,1-2H3
InChIKeyJGRGFWHMWKKDHZ-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.47
Rot. Bonds5

About N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide

N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide (PubChem CID 115158503) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide
PubChem CID115158503
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide
SMILESCc1ccc(Br)cc1CN(C)C(=O)CNC1CC1
InChIInChI=1S/C14H19BrN2O/c1-10-3-4-12(15)7-11(10)9-17(2)14(18)8-16-13-5-6-13/h3-4,7,13,16H,5-6,8-9H2,1-2H3
InChIKeyJGRGFWHMWKKDHZ-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide
CID 60647343
N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158559
1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
CID 115169289
2-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 54873700
N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115159785
1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189906
3-amino-N-[(5-bromo-2-methylphenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154703
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119682810
2-(cyclopentylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 60686913
N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 154754676
4-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylbenzamide
CID 115161027
N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
CID 95971045

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide (CID 115158503) is N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide is Cc1ccc(Br)cc1CN(C)C(=O)CNC1CC1.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide?
The InChIKey is JGRGFWHMWKKDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-3-4-12(15)7-11(10)9-17(2)14(18)8-16-13-5-6-13/h3-4,7,13,16H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide?
N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide has a molecular weight of 311.22 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide is sourced from PubChem (CID 115158503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).