4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline

C13H18BrN — CID 107085198

IUPAC4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline
SMILESCc1cc(CBr)ccc1N(C)C1CCC1
InChIInChI=1S/C13H18BrN/c1-10-8-11(9-14)6-7-13(10)15(2)12-4-3-5-12/h6-8,12H,3-5,9H2,1-2H3
InChIKeyGWZRYDTXQJDVEN-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.88
Rot. Bonds3

About 4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline

4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline (PubChem CID 107085198) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline
PubChem CID107085198
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline
SMILESCc1cc(CBr)ccc1N(C)C1CCC1
InChIInChI=1S/C13H18BrN/c1-10-8-11(9-14)6-7-13(10)15(2)12-4-3-5-12/h6-8,12H,3-5,9H2,1-2H3
InChIKeyGWZRYDTXQJDVEN-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-cyclohexyl-N,2-dimethylaniline
CID 55222027
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
4-(bromomethyl)-N-cyclopropyl-2-fluoro-N-methylaniline
CID 107079857
4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline
CID 107080392
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456
N-methyl-N-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]oxan-4-amine
CID 62121051
N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline
CID 62122416
4-(bromomethyl)-N-(4-ethylcyclohexyl)-2-fluoro-N-methylaniline
CID 107081550
4-(bromomethyl)-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 107083438
5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 107079358
4-(2-aminopropyl)-N-(4-ethylcyclohexyl)-N,2-dimethylaniline
CID 63816201
[3-methyl-4-[methyl(thiolan-3-yl)amino]phenyl]methanol
CID 62121720

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline?
The IUPAC name of 4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline (CID 107085198) is 4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline.
What is the SMILES notation for 4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline?
The canonical SMILES for 4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline is Cc1cc(CBr)ccc1N(C)C1CCC1.
What is the InChIKey of 4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline?
The InChIKey is GWZRYDTXQJDVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10-8-11(9-14)6-7-13(10)15(2)12-4-3-5-12/h6-8,12H,3-5,9H2,1-2H3.
What are the key properties of 4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline?
4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline has a molecular weight of 268.20 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline is sourced from PubChem (CID 107085198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).