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

C15H16F2N2 — CID 63368969

IUPAC4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
SMILESC[C@@H](N)c1ccc(N(C)c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H16F2N2/c1-10(18)11-3-8-15(14(17)9-11)19(2)13-6-4-12(16)5-7-13/h3-10H,18H2,1-2H3/t10-/m1/s1
InChIKeyYTGBGIXJVWQMAA-SNVBAGLBSA-N
MW262.30 g/mol
LogP3.75
Rot. Bonds3

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

4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline (PubChem CID 63368969) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
PubChem CID63368969
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
SMILESC[C@@H](N)c1ccc(N(C)c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H16F2N2/c1-10(18)11-3-8-15(14(17)9-11)19(2)13-6-4-12(16)5-7-13/h3-10H,18H2,1-2H3/t10-/m1/s1
InChIKeyYTGBGIXJVWQMAA-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

4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 55131699
4-[4-(1-aminoethyl)-2-fluoro-N-methylanilino]benzonitrile
CID 62970389
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895
N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline
CID 63368954
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 78935127
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935421
4-[(1S)-1-aminoethyl]-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188888
2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
CID 78935395
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905
N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline
CID 55190482

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline (CID 63368969) is 4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline is C[C@@H](N)c1ccc(N(C)c2ccc(F)cc2)c(F)c1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline?
The InChIKey is YTGBGIXJVWQMAA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-10(18)11-3-8-15(14(17)9-11)19(2)13-6-4-12(16)5-7-13/h3-10H,18H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline?
4-[(1R)-1-aminoethyl]-2-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 4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 63368969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).