4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline

C13H19BrN2 — CID 117455123

IUPAC4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(CN)CCC2)cc1Br
InChIInChI=1S/C13H19BrN2/c1-16(2)12-5-4-10(8-11(12)14)13(9-15)6-3-7-13/h4-5,8H,3,6-7,9,15H2,1-2H3
InChIKeyWLOGHXXYLZSPQY-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.90
Rot. Bonds3

About 4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline

4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline (PubChem CID 117455123) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline
PubChem CID117455123
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(CN)CCC2)cc1Br
InChIInChI=1S/C13H19BrN2/c1-16(2)12-5-4-10(8-11(12)14)13(9-15)6-3-7-13/h4-5,8H,3,6-7,9,15H2,1-2H3
InChIKeyWLOGHXXYLZSPQY-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline
CID 117318635
[1-(3-bromo-4-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117461520
4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline
CID 117478718
1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol
CID 117393248
5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
CID 117112205
3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
CID 82609365
4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline
CID 117455098
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
CID 83735493
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
[1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
CID 117449610
[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117477395

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline?
The IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline (CID 117455123) is 4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline is CN(C)c1ccc(C2(CN)CCC2)cc1Br.
What is the InChIKey of 4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline?
The InChIKey is WLOGHXXYLZSPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-16(2)12-5-4-10(8-11(12)14)13(9-15)6-3-7-13/h4-5,8H,3,6-7,9,15H2,1-2H3.
What are the key properties of 4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline?
4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline has a molecular weight of 283.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline is sourced from PubChem (CID 117455123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).