N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine

C21H18FNO — CID 22664186

IUPACN-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine
SMILESCc1ccc(CNc2ccc3oc4ccc(F)cc4c3c2)c(C)c1
InChIInChI=1S/C21H18FNO/c1-13-3-4-15(14(2)9-13)12-23-17-6-8-21-19(11-17)18-10-16(22)5-7-20(18)24-21/h3-11,23H,12H2,1-2H3
InChIKeyHYSASVFWJOAHCW-UHFFFAOYSA-N
MW319.38 g/mol
LogP5.95
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine

N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine (PubChem CID 22664186) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine
PubChem CID22664186
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine
SMILESCc1ccc(CNc2ccc3oc4ccc(F)cc4c3c2)c(C)c1
InChIInChI=1S/C21H18FNO/c1-13-3-4-15(14(2)9-13)12-23-17-6-8-21-19(11-17)18-10-16(22)5-7-20(18)24-21/h3-11,23H,12H2,1-2H3
InChIKeyHYSASVFWJOAHCW-UHFFFAOYSA-N
XLogP5.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamate
CID 17956992
N-dibenzofuran-2-yl-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 71552342
N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 153523840
N-(6,7,8,9-Tetrahydro-dibenzofuran-2-yl)-succinamic acid methyl ester
CID 6485557
3-(dibenzo[b,d]furan-2-ylamino)-2-(4-methoxyphenyl)-1H-inden-1-one
CID 2268521
3-[3-(dimethylamino)propyl]-4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]benzamide
CID 44532772
N-(2-(5-Trifluoroacetamido-benzo[b]furan-3-yl)ethyl)-acetamide
CID 18175057
Acetamide, N-2-dibenzofuranyl-
CID 603364
N-butyl-3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-5-amine
CID 44142382
4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(3-methylphenyl)-1-benzofuran-5-yl]morpholine
CID 24747907
Ethanone, 1-(4-fluorophenyl)-2-(3-dibenzofuranylamino)-
CID 607375
N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)dodecanamide
CID 118730982

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine (CID 22664186) is N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine is Cc1ccc(CNc2ccc3oc4ccc(F)cc4c3c2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine?
The InChIKey is HYSASVFWJOAHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c1-13-3-4-15(14(2)9-13)12-23-17-6-8-21-19(11-17)18-10-16(22)5-7-20(18)24-21/h3-11,23H,12H2,1-2H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine?
N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine has a molecular weight of 319.38 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-8-fluorodibenzofuran-2-amine is sourced from PubChem (CID 22664186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).