5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline

C14H21BrN2 — CID 115246072

IUPAC5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
SMILESCNCC1(CNc2cc(Br)ccc2C)CCC1
InChIInChI=1S/C14H21BrN2/c1-11-4-5-12(15)8-13(11)17-10-14(9-16-2)6-3-7-14/h4-5,8,16-17H,3,6-7,9-10H2,1-2H3
InChIKeyBVVDUNJTADLPFH-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.56
Rot. Bonds5

About 5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline

5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline (PubChem CID 115246072) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
PubChem CID115246072
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
SMILESCNCC1(CNc2cc(Br)ccc2C)CCC1
InChIInChI=1S/C14H21BrN2/c1-11-4-5-12(15)8-13(11)17-10-14(9-16-2)6-3-7-14/h4-5,8,16-17H,3,6-7,9-10H2,1-2H3
InChIKeyBVVDUNJTADLPFH-UHFFFAOYSA-N
XLogP3.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline 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

5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246032
2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246081
N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline
CID 115256437
methyl 1-[(5-bromo-2-methylanilino)methyl]cyclobutane-1-carboxylate
CID 115247224
4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine
CID 115246053
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline
CID 115245575
1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine
CID 116874974
7-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115244526
1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246164
4-[(5-bromo-2-methylanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499151
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
5-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]furan-2-amine
CID 115246076

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The IUPAC name of 5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline (CID 115246072) is 5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline.
What is the SMILES notation for 5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The canonical SMILES for 5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline is CNCC1(CNc2cc(Br)ccc2C)CCC1.
What is the InChIKey of 5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The InChIKey is BVVDUNJTADLPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11-4-5-12(15)8-13(11)17-10-14(9-16-2)6-3-7-14/h4-5,8,16-17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline has a molecular weight of 297.24 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline is sourced from PubChem (CID 115246072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).