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

C16H19FN2O — CID 63368936

IUPAC2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline
SMILESCOc1ccc(N(C)c2ccc(F)cc2[C@@H](C)N)cc1
InChIInChI=1S/C16H19FN2O/c1-11(18)15-10-12(17)4-9-16(15)19(2)13-5-7-14(20-3)8-6-13/h4-11H,18H2,1-3H3/t11-/m1/s1
InChIKeyYNNSHPWFRQGFMY-LLVKDONJSA-N
MW274.34 g/mol
LogP3.62
Rot. Bonds4

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

2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline (PubChem CID 63368936) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline
PubChem CID63368936
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline
SMILESCOc1ccc(N(C)c2ccc(F)cc2[C@@H](C)N)cc1
InChIInChI=1S/C16H19FN2O/c1-11(18)15-10-12(17)4-9-16(15)19(2)13-5-7-14(20-3)8-6-13/h4-11H,18H2,1-3H3/t11-/m1/s1
InChIKeyYNNSHPWFRQGFMY-LLVKDONJSA-N
XLogP3.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 78935127
(1S)-1-[5-fluoro-2-(4-methoxy-N-methylanilino)phenyl]ethanol
CID 78940852
4-[2-[(1S)-1-aminoethyl]-4-fluoro-N-methylanilino]benzonitrile
CID 78935603
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
CID 78935395
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570188
4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63368969
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975
5-fluoro-2-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82978158
2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline
CID 78934827
4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 55131699
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955080

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline (CID 63368936) is 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline is COc1ccc(N(C)c2ccc(F)cc2[C@@H](C)N)cc1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline?
The InChIKey is YNNSHPWFRQGFMY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11(18)15-10-12(17)4-9-16(15)19(2)13-5-7-14(20-3)8-6-13/h4-11H,18H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline?
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline has a molecular weight of 274.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 63368936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).