4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline

C20H20N2O2 — CID 5085035

IUPAC4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline
SMILESNc1ccc(OCc2ccc(COc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C20H20N2O2/c21-17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(22)8-12-20/h1-12H,13-14,21-22H2
InChIKeyYDXRFFKKLAZKND-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.01
Rot. Bonds6

About 4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline

4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline (PubChem CID 5085035) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline.

Molecular Properties

Compound Name4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline
PubChem CID5085035
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline
SMILESNc1ccc(OCc2ccc(COc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C20H20N2O2/c21-17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(22)8-12-20/h1-12H,13-14,21-22H2
InChIKeyYDXRFFKKLAZKND-UHFFFAOYSA-N
XLogP4.01
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline
CID 83119
4-Benzyloxyaniline
CID 22860
Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-
CID 94652
3-Benzyloxyaniline
CID 92892
2-Benzyloxyaniline
CID 240548
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
4-(2-Phenylethoxy)aniline
CID 3026856
3-(Phenoxymethyl)aniline
CID 427435
1,4-Bis(4-aminophenoxy)benzene
CID 19012
4-(p-Tolyloxy)aniline
CID 94519
4,4'-[Ethane-1,2-diylbis(oxy)]dianiline
CID 60361
4-(4-Tert-butylphenoxy)aniline
CID 82498

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline?
The IUPAC name of 4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline (CID 5085035) is 4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline.
What is the SMILES notation for 4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline?
The canonical SMILES for 4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline is Nc1ccc(OCc2ccc(COc3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline?
The InChIKey is YDXRFFKKLAZKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c21-17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(22)8-12-20/h1-12H,13-14,21-22H2.
What are the key properties of 4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline?
4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline has a molecular weight of 320.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-aminophenoxy)methyl]phenyl]methoxy]aniline is sourced from PubChem (CID 5085035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).