N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine

C21H19NO3 — CID 2981208

IUPACN-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine
SMILESCOc1ccc(CNc2ccc3c(c2)oc2ccccc23)c(OC)c1
InChIInChI=1S/C21H19NO3/c1-23-16-9-7-14(20(12-16)24-2)13-22-15-8-10-18-17-5-3-4-6-19(17)25-21(18)11-15/h3-12,22H,13H2,1-2H3
InChIKeyHWQWBUJIZLGPQG-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.22
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine

N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine (PubChem CID 2981208) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine
PubChem CID2981208
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine
SMILESCOc1ccc(CNc2ccc3c(c2)oc2ccccc23)c(OC)c1
InChIInChI=1S/C21H19NO3/c1-23-16-9-7-14(20(12-16)24-2)13-22-15-8-10-18-17-5-3-4-6-19(17)25-21(18)11-15/h3-12,22H,13H2,1-2H3
InChIKeyHWQWBUJIZLGPQG-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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one
CID 11610401
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine
CID 63363029
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-4-methylaniline
CID 43716144
N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22664253
5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one
CID 22061523
N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
CID 28662205
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine (CID 2981208) is N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine is COc1ccc(CNc2ccc3c(c2)oc2ccccc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine?
The InChIKey is HWQWBUJIZLGPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-23-16-9-7-14(20(12-16)24-2)13-22-15-8-10-18-17-5-3-4-6-19(17)25-21(18)11-15/h3-12,22H,13H2,1-2H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine?
N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-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-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine is sourced from PubChem (CID 2981208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).