6-phenoxybenzene-1,2,4-triamine

C12H13N3O — CID 139667356

IUPAC6-phenoxybenzene-1,2,4-triamine
SMILESNc1cc(N)c(N)c(Oc2ccccc2)c1
InChIInChI=1S/C12H13N3O/c13-8-6-10(14)12(15)11(7-8)16-9-4-2-1-3-5-9/h1-7H,13-15H2
InChIKeyVYLRZQJLTVQJPZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.23
Rot. Bonds2

About 6-phenoxybenzene-1,2,4-triamine

6-phenoxybenzene-1,2,4-triamine (PubChem CID 139667356) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-phenoxybenzene-1,2,4-triamine.

Molecular Properties

Compound Name6-phenoxybenzene-1,2,4-triamine
PubChem CID139667356
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name6-phenoxybenzene-1,2,4-triamine
SMILESNc1cc(N)c(N)c(Oc2ccccc2)c1
InChIInChI=1S/C12H13N3O/c13-8-6-10(14)12(15)11(7-8)16-9-4-2-1-3-5-9/h1-7H,13-15H2
InChIKeyVYLRZQJLTVQJPZ-UHFFFAOYSA-N
XLogP2.23
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-diphenoxybenzene-1,4-diamine
CID 139696987
4-(4-amino-2-phenoxyphenyl)sulfanyl-3-phenoxyaniline
CID 134362895
4-(3-aminophenyl)-3-phenoxyaniline
CID 68785686
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
4,5-dimethoxy-2-phenoxyaniline
CID 83008509
1,4,5,8-tetraamino-2,6-bis(3-phenoxyphenoxy)anthracene-9,10-dione
CID 71318959
4-phenoxyaniline
CID 158390066
4-phenoxy-3-propan-2-yloxyaniline
CID 18616750
4,6-diphenoxybenzene-1,3-diol
CID 90212443
4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine
CID 176653688
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719

Frequently Asked Questions

What is the IUPAC name of 6-phenoxybenzene-1,2,4-triamine?
The IUPAC name of 6-phenoxybenzene-1,2,4-triamine (CID 139667356) is 6-phenoxybenzene-1,2,4-triamine.
What is the SMILES notation for 6-phenoxybenzene-1,2,4-triamine?
The canonical SMILES for 6-phenoxybenzene-1,2,4-triamine is Nc1cc(N)c(N)c(Oc2ccccc2)c1.
What is the InChIKey of 6-phenoxybenzene-1,2,4-triamine?
The InChIKey is VYLRZQJLTVQJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-8-6-10(14)12(15)11(7-8)16-9-4-2-1-3-5-9/h1-7H,13-15H2.
What are the key properties of 6-phenoxybenzene-1,2,4-triamine?
6-phenoxybenzene-1,2,4-triamine has a molecular weight of 215.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxybenzene-1,2,4-triamine is sourced from PubChem (CID 139667356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).