1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C15H22BrFN2 — CID 102613571

IUPAC1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCC(NCC1(N(C)C)CCC1)c1ccc(F)cc1Br
InChIInChI=1S/C15H22BrFN2/c1-11(13-6-5-12(17)9-14(13)16)18-10-15(19(2)3)7-4-8-15/h5-6,9,11,18H,4,7-8,10H2,1-3H3
InChIKeyHDAFEWVZPFXWPS-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.72
Rot. Bonds5

About 1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 102613571) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID102613571
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCC(NCC1(N(C)C)CCC1)c1ccc(F)cc1Br
InChIInChI=1S/C15H22BrFN2/c1-11(13-6-5-12(17)9-14(13)16)18-10-15(19(2)3)7-4-8-15/h5-6,9,11,18H,4,7-8,10H2,1-3H3
InChIKeyHDAFEWVZPFXWPS-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83116978
N-[1-(2-bromo-4-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 103775462
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539
2-[1-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]benzene-1,4-diol
CID 105415008
1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415755
2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115717189
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284625
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 103777846
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 113261530
1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 103776784
1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415705

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 102613571) is 1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CC(NCC1(N(C)C)CCC1)c1ccc(F)cc1Br.
What is the InChIKey of 1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is HDAFEWVZPFXWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-11(13-6-5-12(17)9-14(13)16)18-10-15(19(2)3)7-4-8-15/h5-6,9,11,18H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 329.26 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 102613571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).