N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine

C21H18FNO3 — CID 22664253

IUPACN-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
SMILESCOc1ccc(OC)c(CNc2ccc3oc4ccc(F)cc4c3c2)c1
InChIInChI=1S/C21H18FNO3/c1-24-16-5-8-19(25-2)13(9-16)12-23-15-4-7-21-18(11-15)17-10-14(22)3-6-20(17)26-21/h3-11,23H,12H2,1-2H3
InChIKeyQEAWEOKMSATNAK-UHFFFAOYSA-N
MW351.38 g/mol
LogP5.35
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine

N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine (PubChem CID 22664253) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
PubChem CID22664253
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
SMILESCOc1ccc(OC)c(CNc2ccc3oc4ccc(F)cc4c3c2)c1
InChIInChI=1S/C21H18FNO3/c1-24-16-5-8-19(25-2)13(9-16)12-23-15-4-7-21-18(11-15)17-10-14(22)3-6-20(17)26-21/h3-11,23H,12H2,1-2H3
InChIKeyQEAWEOKMSATNAK-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-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22663940
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine
CID 22664015
3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818380
N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 39424379
N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine
CID 2981208
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
1-N-[(2,5-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39387639
4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61263249

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine (CID 22664253) is N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine is COc1ccc(OC)c(CNc2ccc3oc4ccc(F)cc4c3c2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine?
The InChIKey is QEAWEOKMSATNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-24-16-5-8-19(25-2)13(9-16)12-23-15-4-7-21-18(11-15)17-10-14(22)3-6-20(17)26-21/h3-11,23H,12H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine?
N-[(2,5-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-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine is sourced from PubChem (CID 22664253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).