N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine

C13H19BrFN — CID 55138167

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFN/c1-9(2)10(3)16(4)8-11-5-6-13(15)12(14)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyFOEUJHZQGFFMJJ-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.06
Rot. Bonds4

About N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine

N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine (PubChem CID 55138167) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine
PubChem CID55138167
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFN/c1-9(2)10(3)16(4)8-11-5-6-13(15)12(14)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyFOEUJHZQGFFMJJ-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 63457680
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 63459012
2-fluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]benzoic acid
CID 106699088
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylbutan-2-amine
CID 43569716
2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
CID 82976577
N'-[(3-bromo-4-fluorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 2846037
N'-[(3-bromo-4-fluorophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102996193
3-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 80691247
N-[(3-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 55191844
N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine
CID 55220419
[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol
CID 112631162
3-fluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 64769432

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine (CID 55138167) is N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine is CC(C)C(C)N(C)Cc1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is FOEUJHZQGFFMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-9(2)10(3)16(4)8-11-5-6-13(15)12(14)7-11/h5-7,9-10H,8H2,1-4H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 288.20 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 55138167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).