4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline

C22H20N2O4 — CID 22741608

IUPAC4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline
SMILESNc1ccc(-c2ccc(N)c(OCc3ccco3)c2)cc1OCc1ccco1
InChIInChI=1S/C22H20N2O4/c23-19-7-5-15(11-21(19)27-13-17-3-1-9-25-17)16-6-8-20(24)22(12-16)28-14-18-4-2-10-26-18/h1-12H,13-14,23-24H2
InChIKeyURWFMIUOGIMQOO-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.86
Rot. Bonds7

About 4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline

4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline (PubChem CID 22741608) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline.

Molecular Properties

Compound Name4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline
PubChem CID22741608
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline
SMILESNc1ccc(-c2ccc(N)c(OCc3ccco3)c2)cc1OCc1ccco1
InChIInChI=1S/C22H20N2O4/c23-19-7-5-15(11-21(19)27-13-17-3-1-9-25-17)16-6-8-20(24)22(12-16)28-14-18-4-2-10-26-18/h1-12H,13-14,23-24H2
InChIKeyURWFMIUOGIMQOO-UHFFFAOYSA-N
XLogP4.86
TPSA96.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(furan-2-ylmethoxy)benzonitrile
CID 104712381
2,4-difluoro-6-(furan-2-ylmethoxy)aniline
CID 115507233
2-[3-(furan-2-ylmethoxy)propoxy]aniline
CID 43174360
[4-(furan-2-ylmethoxy)-3-methylphenyl]methanamine
CID 60929324
5-chloro-2-(furan-2-ylmethoxy)benzonitrile
CID 22661920
ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate
CID 61312680
5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde
CID 169334720
5-bromo-2-(furan-2-ylmethoxy)pyridin-3-amine
CID 61227703
3,5-dichloro-6-(furan-2-ylmethoxy)pyridin-2-amine
CID 102760408
[2-fluoro-6-(furan-2-ylmethoxy)phenyl]methanamine
CID 79516547
2-(furan-2-ylmethoxy)pyrimidine
CID 125483373
2-[(2-fluoro-3-methylphenoxy)methyl]furan
CID 107661924

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline?
The IUPAC name of 4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline (CID 22741608) is 4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline.
What is the SMILES notation for 4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline?
The canonical SMILES for 4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline is Nc1ccc(-c2ccc(N)c(OCc3ccco3)c2)cc1OCc1ccco1.
What is the InChIKey of 4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline?
The InChIKey is URWFMIUOGIMQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c23-19-7-5-15(11-21(19)27-13-17-3-1-9-25-17)16-6-8-20(24)22(12-16)28-14-18-4-2-10-26-18/h1-12H,13-14,23-24H2.
What are the key properties of 4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline?
4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline has a molecular weight of 376.41 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline is sourced from PubChem (CID 22741608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).