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

C15H19FN2O — CID 78934703

IUPAC4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCc1occc1CN(C)c1ccc([C@H](C)N)cc1F
InChIInChI=1S/C15H19FN2O/c1-10(17)12-4-5-15(14(16)8-12)18(3)9-13-6-7-19-11(13)2/h4-8,10H,9,17H2,1-3H3/t10-/m0/s1
InChIKeyYRYIHEQFQONJLO-JTQLQIEISA-N
MW262.33 g/mol
LogP3.38
Rot. Bonds4

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

4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline (PubChem CID 78934703) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
PubChem CID78934703
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCc1occc1CN(C)c1ccc([C@H](C)N)cc1F
InChIInChI=1S/C15H19FN2O/c1-10(17)12-4-5-15(14(16)8-12)18(3)9-13-6-7-19-11(13)2/h4-8,10H,9,17H2,1-3H3/t10-/m0/s1
InChIKeyYRYIHEQFQONJLO-JTQLQIEISA-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

2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 78934743
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63369395
4-[(1S)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 78934897
4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-2-fluoro-N-methylaniline
CID 54984893
1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
CID 61426540
2-[4-[(1S)-1-aminoethyl]-2-fluoro-N-methylanilino]ethanol
CID 78934460
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 63368274
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
3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61424218

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The IUPAC name of 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline (CID 78934703) is 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline is Cc1occc1CN(C)c1ccc([C@H](C)N)cc1F.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The InChIKey is YRYIHEQFQONJLO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10(17)12-4-5-15(14(16)8-12)18(3)9-13-6-7-19-11(13)2/h4-8,10H,9,17H2,1-3H3/t10-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
4-[(1S)-1-aminoethyl]-2-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 4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline is sourced from PubChem (CID 78934703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).