1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide

C13H17BrN2O — CID 115189906

IUPAC1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCc1ccc(Br)cc1CN(C)C(=O)C1(N)CC1
InChIInChI=1S/C13H17BrN2O/c1-9-3-4-11(14)7-10(9)8-16(2)12(17)13(15)5-6-13/h3-4,7H,5-6,8,15H2,1-2H3
InChIKeyTTZBRVPKIKWFNQ-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.21
Rot. Bonds3

About 1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide

1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 115189906) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID115189906
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCc1ccc(Br)cc1CN(C)C(=O)C1(N)CC1
InChIInChI=1S/C13H17BrN2O/c1-9-3-4-11(14)7-10(9)8-16(2)12(17)13(15)5-6-13/h3-4,7H,5-6,8,15H2,1-2H3
InChIKeyTTZBRVPKIKWFNQ-UHFFFAOYSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190032
1-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190000
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
1-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 119684846
1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
CID 115169289
4-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylbenzamide
CID 115161027
3-amino-N-[(5-bromo-2-methylphenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154703
1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924
1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 119764808
1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119689266
1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119688940
1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190038

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide (CID 115189906) is 1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide is Cc1ccc(Br)cc1CN(C)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is TTZBRVPKIKWFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-3-4-11(14)7-10(9)8-16(2)12(17)13(15)5-6-13/h3-4,7H,5-6,8,15H2,1-2H3.
What are the key properties of 1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115189906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).