4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline

C17H23FN2O — CID 61426639

IUPAC4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
SMILESCc1occc1CN(C)c1ccc(F)cc1CNC(C)C
InChIInChI=1S/C17H23FN2O/c1-12(2)19-10-15-9-16(18)5-6-17(15)20(4)11-14-7-8-21-13(14)3/h5-9,12,19H,10-11H2,1-4H3
InChIKeyMWGOYKOUVKUPKN-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.86
Rot. Bonds6

About 4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline

4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 61426639) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
PubChem CID61426639
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
SMILESCc1occc1CN(C)c1ccc(F)cc1CNC(C)C
InChIInChI=1S/C17H23FN2O/c1-12(2)19-10-15-9-16(18)5-6-17(15)20(4)11-14-7-8-21-13(14)3/h5-9,12,19H,10-11H2,1-4H3
InChIKeyMWGOYKOUVKUPKN-UHFFFAOYSA-N
XLogP3.86
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
CID 61426736
1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
CID 61426540
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 78934743
4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 43527749
5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
CID 61426683
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 78934703
4-fluoro-N-methyl-N-(4-methylpentan-2-yl)-2-[(propan-2-ylamino)methyl]aniline
CID 63553420
4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 114848876
4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 43313686
2-[1-(ethylamino)ethyl]-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 61426442
4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63551569
4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
CID 61411466

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline (CID 61426639) is 4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline is Cc1occc1CN(C)c1ccc(F)cc1CNC(C)C.
What is the InChIKey of 4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is MWGOYKOUVKUPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-12(2)19-10-15-9-16(18)5-6-17(15)20(4)11-14-7-8-21-13(14)3/h5-9,12,19H,10-11H2,1-4H3.
What are the key properties of 4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline?
4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 290.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 61426639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).