2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline

C15H19FN2O — CID 78934743

IUPAC2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCc1occc1CN(C)c1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C15H19FN2O/c1-10(17)14-8-13(16)4-5-15(14)18(3)9-12-6-7-19-11(12)2/h4-8,10H,9,17H2,1-3H3/t10-/m1/s1
InChIKeyAGEFJZYIVXTFNM-SNVBAGLBSA-N
MW262.33 g/mol
LogP3.38
Rot. Bonds4

About 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline

2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline (PubChem CID 78934743) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
PubChem CID78934743
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCc1occc1CN(C)c1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C15H19FN2O/c1-10(17)14-8-13(16)4-5-15(14)18(3)9-12-6-7-19-11(12)2/h4-8,10H,9,17H2,1-3H3/t10-/m1/s1
InChIKeyAGEFJZYIVXTFNM-SNVBAGLBSA-N
XLogP3.38
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
CID 61426540
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 78934703
4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 61426639
[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
CID 61426736
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975
5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
CID 61426683
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
2-[(1S)-1-aminoethyl]-N-[(2-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 78934499
2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
CID 63369381
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112660506

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline (CID 78934743) is 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline is Cc1occc1CN(C)c1ccc(F)cc1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The InChIKey is AGEFJZYIVXTFNM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10(17)14-8-13(16)4-5-15(14)18(3)9-12-6-7-19-11(12)2/h4-8,10H,9,17H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline has a molecular weight of 262.33 g/mol, XLogP of 3.38, 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-methyl-N-[(2-methylfuran-3-yl)methyl]aniline is sourced from PubChem (CID 78934743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).