1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C15H22BrFN2 — CID 105416319

IUPAC1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(Cc1cc(F)cc(Br)c1)CC1(N(C)C)CCC1
InChIInChI=1S/C15H22BrFN2/c1-18(2)15(5-4-6-15)11-19(3)10-12-7-13(16)9-14(17)8-12/h7-9H,4-6,10-11H2,1-3H3
InChIKeyBAHWBDGHFSZDDG-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.50
Rot. Bonds5

About 1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416319) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416319
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(Cc1cc(F)cc(Br)c1)CC1(N(C)C)CCC1
InChIInChI=1S/C15H22BrFN2/c1-18(2)15(5-4-6-15)11-19(3)10-12-7-13(16)9-14(17)8-12/h7-9H,4-6,10-11H2,1-3H3
InChIKeyBAHWBDGHFSZDDG-UHFFFAOYSA-N
XLogP3.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 79706521
1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416318
2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 80666711
N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717100
1-[[(3-bromo-2,6-difluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 106269248
N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79705621
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105413427
1-(3-bromo-5-fluorophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylmethanamine
CID 79706654
N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine
CID 79706560
2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105421348
N'-[(3-bromo-5-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79702116
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-5-fluorobenzoic acid
CID 105418433

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416319) is 1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(Cc1cc(F)cc(Br)c1)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is BAHWBDGHFSZDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-18(2)15(5-4-6-15)11-19(3)10-12-7-13(16)9-14(17)8-12/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of 1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 329.26 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).