N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine

C21H18FNO — CID 23593121

IUPACN-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine
SMILESCc1ccc2c(c1)oc1cc(N(C)c3ccc(C)c(F)c3)ccc12
InChIInChI=1S/C21H18FNO/c1-13-4-8-17-18-9-7-16(12-21(18)24-20(17)10-13)23(3)15-6-5-14(2)19(22)11-15/h4-12H,1-3H3
InChIKeyYYIXACLFRVGQEH-UHFFFAOYSA-N
MW319.38 g/mol
LogP6.11
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine

N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine (PubChem CID 23593121) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine
PubChem CID23593121
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine
SMILESCc1ccc2c(c1)oc1cc(N(C)c3ccc(C)c(F)c3)ccc12
InChIInChI=1S/C21H18FNO/c1-13-4-8-17-18-9-7-16(12-21(18)24-20(17)10-13)23(3)15-6-5-14(2)19(22)11-15/h4-12H,1-3H3
InChIKeyYYIXACLFRVGQEH-UHFFFAOYSA-N
XLogP6.11
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-3-dibenzofuranyl-
CID 22087
4-Methyl[1]benzofuro[3,2-g]quinolin-2-ol
CID 341872
4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71457198
4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71462568
N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 153523840
N-Dibenzofuran-3-yl-3-methyl-butyramide
CID 2913552
N-(3-dibenzofuranyl)-2-methylpropanamide
CID 3150699
2,2,4-Trimethyl-1,2-dihydrobenzofuro[3,2-g]quinoline
CID 15458735
1,3,3-Trimethyl-3,4-dihydrobenzofuro[2,3-f]quinoline
CID 15458736
4-(2-(5-fluorobenzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548163
N,N-dimethyl-4-(2-(6-methylbenzofuran-2-yl)vinyl)benzenamine
CID 44548166
4-(2-(6-fluorobenzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548168

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine (CID 23593121) is N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine is Cc1ccc2c(c1)oc1cc(N(C)c3ccc(C)c(F)c3)ccc12.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine?
The InChIKey is YYIXACLFRVGQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c1-13-4-8-17-18-9-7-16(12-21(18)24-20(17)10-13)23(3)15-6-5-14(2)19(22)11-15/h4-12H,1-3H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine?
N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine has a molecular weight of 319.38 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine is sourced from PubChem (CID 23593121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).