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

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Related Compounds

N-(2-methylbutyl)dibenzofuran-4-amine
CID 167309390
N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine
CID 143649592
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706520
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 29040909
N-dibenzofuran-4-ylpropanamide
CID 138533625
N-dibenzofuran-1-yldibenzofuran-4-amine
CID 138484831
N-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804074
2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride
CID 24807983
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034
N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine
CID 46221872
N-[4-(benzylamino)-2-oxochromen-3-yl]-2-(3-methoxyphenyl)acetamide
CID 17251997
4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine
CID 155386640

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).