2,5-diphenoxybenzene-1,4-diamine

C18H16N2O2 — CID 139696987

IUPAC2,5-diphenoxybenzene-1,4-diamine
SMILESNc1cc(Oc2ccccc2)c(N)cc1Oc1ccccc1
InChIInChI=1S/C18H16N2O2/c19-15-12-18(22-14-9-5-2-6-10-14)16(20)11-17(15)21-13-7-3-1-4-8-13/h1-12H,19-20H2
InChIKeyNKZLWCPLGFZLGI-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.44
Rot. Bonds4

About 2,5-diphenoxybenzene-1,4-diamine

2,5-diphenoxybenzene-1,4-diamine (PubChem CID 139696987) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,5-diphenoxybenzene-1,4-diamine.

Molecular Properties

Compound Name2,5-diphenoxybenzene-1,4-diamine
PubChem CID139696987
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2,5-diphenoxybenzene-1,4-diamine
SMILESNc1cc(Oc2ccccc2)c(N)cc1Oc1ccccc1
InChIInChI=1S/C18H16N2O2/c19-15-12-18(22-14-9-5-2-6-10-14)16(20)11-17(15)21-13-7-3-1-4-8-13/h1-12H,19-20H2
InChIKeyNKZLWCPLGFZLGI-UHFFFAOYSA-N
XLogP4.44
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-phenoxyaniline
CID 83008509
5-chloro-4-fluoro-2-phenoxyaniline
CID 66078478
6-phenoxybenzene-1,2,4-triamine
CID 139667356
1-(3-amino-4-phenoxyphenyl)ethanone
CID 82128259
3-[4-[(E)-2-[4-(3-aminonaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalen-2-amine
CID 134394157
2-amino-1-(4-amino-2-hydroxy-5-phenoxyphenyl)ethanone;hydrochloride
CID 175674600
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
3-naphthalen-2-yloxynaphthalen-2-amine
CID 155306607
2-bromo-5-methyl-4-phenoxyaniline
CID 134607216
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
2-methyl-3-phenoxyaniline;hydrochloride
CID 142758143
1,4,5,8-tetraamino-2,6-bis(3-phenoxyphenoxy)anthracene-9,10-dione
CID 71318959

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenoxybenzene-1,4-diamine?
The IUPAC name of 2,5-diphenoxybenzene-1,4-diamine (CID 139696987) is 2,5-diphenoxybenzene-1,4-diamine.
What is the SMILES notation for 2,5-diphenoxybenzene-1,4-diamine?
The canonical SMILES for 2,5-diphenoxybenzene-1,4-diamine is Nc1cc(Oc2ccccc2)c(N)cc1Oc1ccccc1.
What is the InChIKey of 2,5-diphenoxybenzene-1,4-diamine?
The InChIKey is NKZLWCPLGFZLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-15-12-18(22-14-9-5-2-6-10-14)16(20)11-17(15)21-13-7-3-1-4-8-13/h1-12H,19-20H2.
What are the key properties of 2,5-diphenoxybenzene-1,4-diamine?
2,5-diphenoxybenzene-1,4-diamine has a molecular weight of 292.34 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenoxybenzene-1,4-diamine is sourced from PubChem (CID 139696987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).