2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline

C16H18F2N2 — CID 61412975

IUPAC2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
SMILESCC(N)c1cc(F)ccc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H18F2N2/c1-11(19)15-9-14(18)7-8-16(15)20(2)10-12-3-5-13(17)6-4-12/h3-9,11H,10,19H2,1-2H3
InChIKeyLIKJCWBSXGIKOH-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.62
Rot. Bonds4

About 2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline

2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline (PubChem CID 61412975) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
PubChem CID61412975
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
SMILESCC(N)c1cc(F)ccc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H18F2N2/c1-11(19)15-9-14(18)7-8-16(15)20(2)10-12-3-5-13(17)6-4-12/h3-9,11H,10,19H2,1-2H3
InChIKeyLIKJCWBSXGIKOH-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036392
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036390
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
CID 63369381
4-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 61413072
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934994
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
(1R)-1-[5-fluoro-2-[methyl-[(4-methylphenyl)methyl]amino]phenyl]ethanol
CID 63370651
2-[(1S)-1-aminoethyl]-N-[(2-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 78934499
4-[(1R)-1-aminoethyl]-2-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63369536
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 78934743
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112660506

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of 2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline (CID 61412975) is 2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline is CC(N)c1cc(F)ccc1N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is LIKJCWBSXGIKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-11(19)15-9-14(18)7-8-16(15)20(2)10-12-3-5-13(17)6-4-12/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline?
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline has a molecular weight of 276.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 61412975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).