3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline

C18H16FNO — CID 43108707

IUPAC3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline
SMILESCc1ccc(NC(c2ccccc2)c2ccco2)cc1F
InChIInChI=1S/C18H16FNO/c1-13-9-10-15(12-16(13)19)20-18(17-8-5-11-21-17)14-6-3-2-4-7-14/h2-12,18,20H,1H3
InChIKeyITNRUBHKJPLWNV-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.93
Rot. Bonds4

About 3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline

3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline (PubChem CID 43108707) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline
PubChem CID43108707
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline
SMILESCc1ccc(NC(c2ccccc2)c2ccco2)cc1F
InChIInChI=1S/C18H16FNO/c1-13-9-10-15(12-16(13)19)20-18(17-8-5-11-21-17)14-6-3-2-4-7-14/h2-12,18,20H,1H3
InChIKeyITNRUBHKJPLWNV-UHFFFAOYSA-N
XLogP4.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline
CID 62809842
2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol
CID 64793530
3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline
CID 43194263
N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline
CID 43103663
2-(3-fluoro-4-methylanilino)-2-phenylacetamide
CID 47137894
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-methylaniline
CID 22432808
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-methylaniline
CID 92656812
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
N-(3-fluoro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919228
3-fluoro-4-methyl-N-(3-phenylbutyl)aniline
CID 63422940
N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902277
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline?
The IUPAC name of 3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline (CID 43108707) is 3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline.
What is the SMILES notation for 3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline?
The canonical SMILES for 3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline is Cc1ccc(NC(c2ccccc2)c2ccco2)cc1F.
What is the InChIKey of 3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline?
The InChIKey is ITNRUBHKJPLWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-13-9-10-15(12-16(13)19)20-18(17-8-5-11-21-17)14-6-3-2-4-7-14/h2-12,18,20H,1H3.
What are the key properties of 3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline?
3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline has a molecular weight of 281.33 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline is sourced from PubChem (CID 43108707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).