N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine

C21H19NO — CID 22664248

IUPACN-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine
SMILESCc1ccc(C)c(CNc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C21H19NO/c1-14-7-8-15(2)16(11-14)13-22-17-9-10-21-19(12-17)18-5-3-4-6-20(18)23-21/h3-12,22H,13H2,1-2H3
InChIKeyUXIAOOGIYAYMCA-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.81
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine

N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine (PubChem CID 22664248) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine
PubChem CID22664248
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC NameN-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine
SMILESCc1ccc(C)c(CNc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C21H19NO/c1-14-7-8-15(2)16(11-14)13-22-17-9-10-21-19(12-17)18-5-3-4-6-20(18)23-21/h3-12,22H,13H2,1-2H3
InChIKeyUXIAOOGIYAYMCA-UHFFFAOYSA-N
XLogP5.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine
CID 23521797
8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine
CID 22663982
N-[(1-methylpyrrol-2-yl)methyl]dibenzofuran-2-amine
CID 28876961
N-[(4-propan-2-ylphenyl)methyl]dibenzofuran-2-amine
CID 142075806
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003
N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine
CID 107441212
N-[(1-methyltriazol-4-yl)methyl]dibenzofuran-2-amine
CID 62757748
N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
N-[(2,5-dimethylphenyl)methyl]-4-propylaniline
CID 55198828
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
N-[(2,5-dimethylphenyl)methyl]-4-(triazol-2-yl)aniline
CID 61062837

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine (CID 22664248) is N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine is Cc1ccc(C)c(CNc2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine?
The InChIKey is UXIAOOGIYAYMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-14-7-8-15(2)16(11-14)13-22-17-9-10-21-19(12-17)18-5-3-4-6-20(18)23-21/h3-12,22H,13H2,1-2H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine?
N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine has a molecular weight of 301.39 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine is sourced from PubChem (CID 22664248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).