N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine

C16H16BrF2N — CID 63457680

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1F)N(C)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H16BrF2N/c1-11(13-5-3-4-6-15(13)18)20(2)10-12-7-8-16(19)14(17)9-12/h3-9,11H,10H2,1-2H3
InChIKeyRTHZAQWGVWKZPP-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.92
Rot. Bonds4

About N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine

N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine (PubChem CID 63457680) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
PubChem CID63457680
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1F)N(C)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H16BrF2N/c1-11(13-5-3-4-6-15(13)18)20(2)10-12-7-8-16(19)14(17)9-12/h3-9,11H,10H2,1-2H3
InChIKeyRTHZAQWGVWKZPP-UHFFFAOYSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 63459012
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 107878398
N-[(3-bromo-4-fluorophenyl)methyl]-N,3-dimethylbutan-2-amine
CID 55138167
1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985100
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile
CID 60964750
4-[[[(1R)-1-(2-fluorophenyl)ethyl]-methylamino]methyl]-1-methylpyridin-2-one
CID 94417275
3-bromo-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980354
N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 78897575
N-[(3-bromo-4-methoxyphenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 63458841
[2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenyl]boronic acid
CID 62984689
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656756

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine (CID 63457680) is N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine is CC(c1ccccc1F)N(C)Cc1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is RTHZAQWGVWKZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-11(13-5-3-4-6-15(13)18)20(2)10-12-7-8-16(19)14(17)9-12/h3-9,11H,10H2,1-2H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine?
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.92, 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]-1-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 63457680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).