4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine

C22H20N4O2 — CID 141165194

IUPAC4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine
SMILESNc1ccc(Oc2ccc3cccc(Oc4ccc(N)cc4N)c3c2)c(N)c1
InChIInChI=1S/C22H20N4O2/c23-14-5-8-21(18(25)10-14)27-16-7-4-13-2-1-3-20(17(13)12-16)28-22-9-6-15(24)11-19(22)26/h1-12H,23-26H2
InChIKeyKOEGGDZCMXNZSL-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.75
Rot. Bonds4

About 4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine

4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine (PubChem CID 141165194) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine.

Molecular Properties

Compound Name4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine
PubChem CID141165194
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine
SMILESNc1ccc(Oc2ccc3cccc(Oc4ccc(N)cc4N)c3c2)c(N)c1
InChIInChI=1S/C22H20N4O2/c23-14-5-8-21(18(25)10-14)27-16-7-4-13-2-1-3-20(17(13)12-16)28-22-9-6-15(24)11-19(22)26/h1-12H,23-26H2
InChIKeyKOEGGDZCMXNZSL-UHFFFAOYSA-N
XLogP4.75
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[2,3-bis(2,4-diaminophenoxy)phenoxy]-2-(2,4-diaminophenoxy)phenoxy]benzene-1,3-diamine
CID 174723644
4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine
CID 141165190
4-(2,4-diaminophenoxy)phenol
CID 19971372
5-phenoxynaphthalen-2-amine
CID 138739792
5-methyl-2-naphthalen-2-yloxyaniline
CID 26189514
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751
3-naphthalen-2-yloxynaphthalen-2-amine
CID 155306607
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
5-amino-2-naphthalen-1-yloxybenzoic acid
CID 60987249
3-amino-4-naphthalen-1-yloxybenzamide
CID 43448527
2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
CID 58689928

Frequently Asked Questions

What is the IUPAC name of 4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine?
The IUPAC name of 4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine (CID 141165194) is 4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine.
What is the SMILES notation for 4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine?
The canonical SMILES for 4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine is Nc1ccc(Oc2ccc3cccc(Oc4ccc(N)cc4N)c3c2)c(N)c1.
What is the InChIKey of 4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine?
The InChIKey is KOEGGDZCMXNZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-14-5-8-21(18(25)10-14)27-16-7-4-13-2-1-3-20(17(13)12-16)28-22-9-6-15(24)11-19(22)26/h1-12H,23-26H2.
What are the key properties of 4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine?
4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine has a molecular weight of 372.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2,4-diaminophenoxy)naphthalen-2-yl]oxybenzene-1,3-diamine is sourced from PubChem (CID 141165194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).