N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine

C21H18FNO3 — CID 22663940

IUPACN-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
SMILESCOc1cccc(CNc2ccc3oc4ccc(F)cc4c3c2)c1OC
InChIInChI=1S/C21H18FNO3/c1-24-20-5-3-4-13(21(20)25-2)12-23-15-7-9-19-17(11-15)16-10-14(22)6-8-18(16)26-19/h3-11,23H,12H2,1-2H3
InChIKeyYMEQGLFNFYMTDI-UHFFFAOYSA-N
MW351.38 g/mol
LogP5.35
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine

N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine (PubChem CID 22663940) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
PubChem CID22663940
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
SMILESCOc1cccc(CNc2ccc3oc4ccc(F)cc4c3c2)c1OC
InChIInChI=1S/C21H18FNO3/c1-24-20-5-3-4-13(21(20)25-2)12-23-15-7-9-19-17(11-15)16-10-14(22)6-8-18(16)26-19/h3-11,23H,12H2,1-2H3
InChIKeyYMEQGLFNFYMTDI-UHFFFAOYSA-N
XLogP5.35
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.38
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22664253
N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
CID 62810743
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825857
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818353
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine
CID 22664015
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
2-chloro-5-[(2,3-dimethoxyphenyl)methylamino]benzonitrile
CID 43686871
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 60957867
3,4-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791484
3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791512

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine (CID 22663940) is N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine is COc1cccc(CNc2ccc3oc4ccc(F)cc4c3c2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine?
The InChIKey is YMEQGLFNFYMTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-24-20-5-3-4-13(21(20)25-2)12-23-15-7-9-19-17(11-15)16-10-14(22)6-8-18(16)26-19/h3-11,23H,12H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine?
N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine has a molecular weight of 351.38 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine is sourced from PubChem (CID 22663940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).