2-phenoxy-1H-pyrrole-3,4-diamine

C10H11N3O — CID 175019974

IUPAC2-phenoxy-1H-pyrrole-3,4-diamine
SMILESNc1c[nH]c(Oc2ccccc2)c1N
InChIInChI=1S/C10H11N3O/c11-8-6-13-10(9(8)12)14-7-4-2-1-3-5-7/h1-6,13H,11-12H2
InChIKeyRDZAYKQZNVAZSV-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.97
Rot. Bonds2

About 2-phenoxy-1H-pyrrole-3,4-diamine

2-phenoxy-1H-pyrrole-3,4-diamine (PubChem CID 175019974) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-phenoxy-1H-pyrrole-3,4-diamine.

Molecular Properties

Compound Name2-phenoxy-1H-pyrrole-3,4-diamine
PubChem CID175019974
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-phenoxy-1H-pyrrole-3,4-diamine
SMILESNc1c[nH]c(Oc2ccccc2)c1N
InChIInChI=1S/C10H11N3O/c11-8-6-13-10(9(8)12)14-7-4-2-1-3-5-7/h1-6,13H,11-12H2
InChIKeyRDZAYKQZNVAZSV-UHFFFAOYSA-N
XLogP1.97
TPSA77.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-phenoxyaniline
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potassium phenoxybenzene
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iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
6-phenoxybenzene-1,2,4-triamine
CID 139667356
2-phenoxy-3-phenylaniline
CID 68786698
3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine
CID 139931817
potassium;hydride;phenoxybenzene
CID 173391576
2,6-dimethyl-4-phenoxyaniline
CID 12546819
3,6-dimethyl-2-(4-phenoxyphenyl)aniline
CID 173271409
oxophosphanium;phenoxybenzene
CID 161329594

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1H-pyrrole-3,4-diamine?
The IUPAC name of 2-phenoxy-1H-pyrrole-3,4-diamine (CID 175019974) is 2-phenoxy-1H-pyrrole-3,4-diamine.
What is the SMILES notation for 2-phenoxy-1H-pyrrole-3,4-diamine?
The canonical SMILES for 2-phenoxy-1H-pyrrole-3,4-diamine is Nc1c[nH]c(Oc2ccccc2)c1N.
What is the InChIKey of 2-phenoxy-1H-pyrrole-3,4-diamine?
The InChIKey is RDZAYKQZNVAZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-8-6-13-10(9(8)12)14-7-4-2-1-3-5-7/h1-6,13H,11-12H2.
What are the key properties of 2-phenoxy-1H-pyrrole-3,4-diamine?
2-phenoxy-1H-pyrrole-3,4-diamine has a molecular weight of 189.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1H-pyrrole-3,4-diamine is sourced from PubChem (CID 175019974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).