N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine

C21H19NO3 — CID 22664094

IUPACN-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine
SMILESCOc1cc(CNc2cccc3c2oc2ccccc23)cc(OC)c1
InChIInChI=1S/C21H19NO3/c1-23-15-10-14(11-16(12-15)24-2)13-22-19-8-5-7-18-17-6-3-4-9-20(17)25-21(18)19/h3-12,22H,13H2,1-2H3
InChIKeyBNLKFEWJRLJNBW-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.22
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine

N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine (PubChem CID 22664094) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine
PubChem CID22664094
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine
SMILESCOc1cc(CNc2cccc3c2oc2ccccc23)cc(OC)c1
InChIInChI=1S/C21H19NO3/c1-23-15-10-14(11-16(12-15)24-2)13-22-19-8-5-7-18-17-6-3-4-9-20(17)25-21(18)19/h3-12,22H,13H2,1-2H3
InChIKeyBNLKFEWJRLJNBW-UHFFFAOYSA-N
XLogP5.22
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine (CID 22664094) is N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine is COc1cc(CNc2cccc3c2oc2ccccc23)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine?
The InChIKey is BNLKFEWJRLJNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-23-15-10-14(11-16(12-15)24-2)13-22-19-8-5-7-18-17-6-3-4-9-20(17)25-21(18)19/h3-12,22H,13H2,1-2H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine?
N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine has a molecular weight of 333.39 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine is sourced from PubChem (CID 22664094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).