1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C14H20BrClN2 — CID 103581874

IUPAC1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNCc2ccc(Br)c(Cl)c2)CCC1
InChIInChI=1S/C14H20BrClN2/c1-18(2)14(6-3-7-14)10-17-9-11-4-5-12(15)13(16)8-11/h4-5,8,17H,3,6-7,9-10H2,1-2H3
InChIKeyQMEYALSPLNCUMC-UHFFFAOYSA-N
MW331.69 g/mol
LogP3.68
Rot. Bonds5

About 1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 103581874) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID103581874
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNCc2ccc(Br)c(Cl)c2)CCC1
InChIInChI=1S/C14H20BrClN2/c1-18(2)14(6-3-7-14)10-17-9-11-4-5-12(15)13(16)8-11/h4-5,8,17H,3,6-7,9-10H2,1-2H3
InChIKeyQMEYALSPLNCUMC-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 79175035
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81002628
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 28530508
1-(4-bromo-3-chlorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 103581860
1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 103581679
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79036169
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 81431518
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105414898
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 81294847

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 103581874) is 1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(C)C1(CNCc2ccc(Br)c(Cl)c2)CCC1.
What is the InChIKey of 1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is QMEYALSPLNCUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-18(2)14(6-3-7-14)10-17-9-11-4-5-12(15)13(16)8-11/h4-5,8,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 331.69 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103581874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).