N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine

C15H22BrN — CID 65009839

IUPACN-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)CC2(CBr)CCC2)cc1
InChIInChI=1S/C15H22BrN/c1-13-4-6-14(7-5-13)10-17(2)12-15(11-16)8-3-9-15/h4-7H,3,8-12H2,1-2H3
InChIKeyYGYPFWUKTDKQKL-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.99
Rot. Bonds5

About N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine

N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 65009839) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID65009839
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)CC2(CBr)CCC2)cc1
InChIInChI=1S/C15H22BrN/c1-13-4-6-14(7-5-13)10-17(2)12-15(11-16)8-3-9-15/h4-7H,3,8-12H2,1-2H3
InChIKeyYGYPFWUKTDKQKL-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine (CID 65009839) is N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine is Cc1ccc(CN(C)CC2(CBr)CCC2)cc1.
What is the InChIKey of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is YGYPFWUKTDKQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-13-4-6-14(7-5-13)10-17(2)12-15(11-16)8-3-9-15/h4-7H,3,8-12H2,1-2H3.
What are the key properties of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine?
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 296.25 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 65009839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).