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

C15H16F2N2 — CID 78935127

IUPAC2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
SMILESC[C@@H](N)c1cc(F)ccc1N(C)c1ccc(F)cc1
InChIInChI=1S/C15H16F2N2/c1-10(18)14-9-12(17)5-8-15(14)19(2)13-6-3-11(16)4-7-13/h3-10H,18H2,1-2H3/t10-/m1/s1
InChIKeyUNBUFBXHXHPSIF-SNVBAGLBSA-N
MW262.30 g/mol
LogP3.75
Rot. Bonds3

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

2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline (PubChem CID 78935127) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
PubChem CID78935127
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
SMILESC[C@@H](N)c1cc(F)ccc1N(C)c1ccc(F)cc1
InChIInChI=1S/C15H16F2N2/c1-10(18)14-9-12(17)5-8-15(14)19(2)13-6-3-11(16)4-7-13/h3-10H,18H2,1-2H3/t10-/m1/s1
InChIKeyUNBUFBXHXHPSIF-SNVBAGLBSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline
CID 63368936
4-[2-[(1S)-1-aminoethyl]-4-fluoro-N-methylanilino]benzonitrile
CID 78935603
2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
CID 78935395
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63368969
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570188
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975
4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 55131699
(1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol
CID 78940852
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955080
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
CID 55189609
2-[(1S)-1-aminoethyl]-4-fluoro-N,N-bis(3-methylbutyl)aniline
CID 107870073

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline (CID 78935127) is 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline is C[C@@H](N)c1cc(F)ccc1N(C)c1ccc(F)cc1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline?
The InChIKey is UNBUFBXHXHPSIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-10(18)14-9-12(17)5-8-15(14)19(2)13-6-3-11(16)4-7-13/h3-10H,18H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline?
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline has a molecular weight of 262.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 78935127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).