1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide

C13H17BrN2O — CID 115183508

IUPAC1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(CN)CCC1)c1ccccc1Br
InChIInChI=1S/C13H17BrN2O/c1-16(11-6-3-2-5-10(11)14)12(17)13(9-15)7-4-8-13/h2-3,5-6H,4,7-9,15H2,1H3
InChIKeyNQOIJEZVAOMBHD-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.54
Rot. Bonds3

About 1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 115183508) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide
PubChem CID115183508
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(CN)CCC1)c1ccccc1Br
InChIInChI=1S/C13H17BrN2O/c1-16(11-6-3-2-5-10(11)14)12(17)13(9-15)7-4-8-13/h2-3,5-6H,4,7-9,15H2,1H3
InChIKeyNQOIJEZVAOMBHD-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80587931
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447915
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183487
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 113312820
4-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]benzoic acid
CID 104698752
1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107599762
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182600
1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182616
1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide
CID 113311677
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942
1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 54593229

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide (CID 115183508) is 1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1(CN)CCC1)c1ccccc1Br.
What is the InChIKey of 1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is NQOIJEZVAOMBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-16(11-6-3-2-5-10(11)14)12(17)13(9-15)7-4-8-13/h2-3,5-6H,4,7-9,15H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115183508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).