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

C17H14FNO — CID 43194263

IUPAC3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline
SMILESFc1cccc(NC(c2ccccc2)c2ccco2)c1
InChIInChI=1S/C17H14FNO/c18-14-8-4-9-15(12-14)19-17(16-10-5-11-20-16)13-6-2-1-3-7-13/h1-12,17,19H
InChIKeyKWAOIUILRQQSES-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.62
Rot. Bonds4

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

3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline (PubChem CID 43194263) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline
PubChem CID43194263
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline
SMILESFc1cccc(NC(c2ccccc2)c2ccco2)c1
InChIInChI=1S/C17H14FNO/c18-14-8-4-9-15(12-14)19-17(16-10-5-11-20-16)13-6-2-1-3-7-13/h1-12,17,19H
InChIKeyKWAOIUILRQQSES-UHFFFAOYSA-N
XLogP4.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.62
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
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-[1-(furan-2-yl)propyl]aniline
CID 62631964
3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline
CID 43608159
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline
CID 43103663
2,5-dibromo-N-[furan-2-yl(phenyl)methyl]aniline
CID 43736789
N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902277
2,6-difluoro-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134028235
N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 131701808

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline?
The IUPAC name of 3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline (CID 43194263) is 3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline?
The canonical SMILES for 3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline is Fc1cccc(NC(c2ccccc2)c2ccco2)c1.
What is the InChIKey of 3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline?
The InChIKey is KWAOIUILRQQSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c18-14-8-4-9-15(12-14)19-17(16-10-5-11-20-16)13-6-2-1-3-7-13/h1-12,17,19H.
What are the key properties of 3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline?
3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline has a molecular weight of 267.30 g/mol, XLogP of 4.62, 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]aniline is sourced from PubChem (CID 43194263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).