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

C18H16FNO — CID 62809842

IUPAC4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline
SMILESCc1cc(NC(c2ccccc2)c2ccco2)ccc1F
InChIInChI=1S/C18H16FNO/c1-13-12-15(9-10-16(13)19)20-18(17-8-5-11-21-17)14-6-3-2-4-7-14/h2-12,18,20H,1H3
InChIKeyFUWACCZBZWQELN-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.93
Rot. Bonds4

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

4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline (PubChem CID 62809842) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline
PubChem CID62809842
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline
SMILESCc1cc(NC(c2ccccc2)c2ccco2)ccc1F
InChIInChI=1S/C18H16FNO/c1-13-12-15(9-10-16(13)19)20-18(17-8-5-11-21-17)14-6-3-2-4-7-14/h2-12,18,20H,1H3
InChIKeyFUWACCZBZWQELN-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

3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline
CID 43108707
2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol
CID 64793530
3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline
CID 43194263
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853
N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline
CID 43103663
(R)-(4-fluoro-3-methylphenyl)-(furan-2-yl)methanol
CID 94602014
2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline
CID 81251674
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
2,5-dibromo-N-[furan-2-yl(phenyl)methyl]aniline
CID 43736789
(2R)-N-(4-chlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755484
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline?
The IUPAC name of 4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline (CID 62809842) is 4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline.
What is the SMILES notation for 4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline?
The canonical SMILES for 4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline is Cc1cc(NC(c2ccccc2)c2ccco2)ccc1F.
What is the InChIKey of 4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline?
The InChIKey is FUWACCZBZWQELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-13-12-15(9-10-16(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 4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline?
4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-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 4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline is sourced from PubChem (CID 62809842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).