4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline

C16H18F2N2 — CID 62980353

IUPAC4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
SMILESCC(c1ccccc1F)N(C)Cc1cc(F)ccc1N
InChIInChI=1S/C16H18F2N2/c1-11(14-5-3-4-6-15(14)18)20(2)10-12-9-13(17)7-8-16(12)19/h3-9,11H,10,19H2,1-2H3
InChIKeyYNSBZJOALJQCAN-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.74
Rot. Bonds4

About 4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline

4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline (PubChem CID 62980353) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
PubChem CID62980353
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
SMILESCC(c1ccccc1F)N(C)Cc1cc(F)ccc1N
InChIInChI=1S/C16H18F2N2/c1-11(14-5-3-4-6-15(14)18)20(2)10-12-9-13(17)7-8-16(12)19/h3-9,11H,10,19H2,1-2H3
InChIKeyYNSBZJOALJQCAN-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol
CID 62978067
2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
CID 107274465
1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985620
[2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenyl]boronic acid
CID 62984689
3-bromo-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980354
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 107878398
N-[(5-bromofuran-2-yl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 78897575
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656756
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide
CID 62979001
4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43443766
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 63457680

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline?
The IUPAC name of 4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline (CID 62980353) is 4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline.
What is the SMILES notation for 4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline?
The canonical SMILES for 4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline is CC(c1ccccc1F)N(C)Cc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline?
The InChIKey is YNSBZJOALJQCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-11(14-5-3-4-6-15(14)18)20(2)10-12-9-13(17)7-8-16(12)19/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline?
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline has a molecular weight of 276.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline is sourced from PubChem (CID 62980353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).