N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine

C14H19Br2N — CID 65009198

IUPACN-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)CC1(CBr)CCC1
InChIInChI=1S/C14H19Br2N/c1-17(11-14(10-15)7-2-8-14)9-12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyIIYQVDQPEDHTLI-UHFFFAOYSA-N
MW361.12 g/mol
LogP4.45
Rot. Bonds5

About N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine

N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine (PubChem CID 65009198) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine
PubChem CID65009198
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC NameN-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)CC1(CBr)CCC1
InChIInChI=1S/C14H19Br2N/c1-17(11-14(10-15)7-2-8-14)9-12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyIIYQVDQPEDHTLI-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.12
LogP ≤ 54.45
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

N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 65009839
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 65002738
2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopropyl]acetonitrile
CID 65492388
1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63534076
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 65009087
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 65002893
N-[[1-(bromomethyl)cycloheptyl]methyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 65010325
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 65002220
2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine
CID 115246309
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine
CID 82171579
4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 55048485
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 65010470

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine (CID 65009198) is N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine is CN(Cc1ccc(Br)cc1)CC1(CBr)CCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine?
The InChIKey is IIYQVDQPEDHTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-17(11-14(10-15)7-2-8-14)9-12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine?
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine has a molecular weight of 361.12 g/mol, XLogP of 4.45, 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]-1-(4-bromophenyl)-N-methylmethanamine is sourced from PubChem (CID 65009198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).