2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride

C22H24Cl2N4O2 — CID 175108537

IUPAC2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C(Oc1ccccc1)c1ccc(C(Oc2ccccc2)/C(N)=N/[H])cc1
InChIInChI=1S/C22H22N4O2.2ClH/c23-21(24)19(27-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22(25)26)28-18-9-5-2-6-10-18;;/h1-14,19-20H,(H3,23,24)(H3,25,26);2*1H
InChIKeyKZTNLAMMSFQACG-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.64
Rot. Bonds8

About 2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride

2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride (PubChem CID 175108537) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride
PubChem CID175108537
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C(Oc1ccccc1)c1ccc(C(Oc2ccccc2)/C(N)=N/[H])cc1
InChIInChI=1S/C22H22N4O2.2ClH/c23-21(24)19(27-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22(25)26)28-18-9-5-2-6-10-18;;/h1-14,19-20H,(H3,23,24)(H3,25,26);2*1H
InChIKeyKZTNLAMMSFQACG-UHFFFAOYSA-N
XLogP4.64
TPSA118.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride?
The IUPAC name of 2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride (CID 175108537) is 2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride.
What is the SMILES notation for 2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride?
The canonical SMILES for 2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)C(Oc1ccccc1)c1ccc(C(Oc2ccccc2)/C(N)=N/[H])cc1.
What is the InChIKey of 2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride?
The InChIKey is KZTNLAMMSFQACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2.2ClH/c23-21(24)19(27-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22(25)26)28-18-9-5-2-6-10-18;;/h1-14,19-20H,(H3,23,24)(H3,25,26);2*1H.
What are the key properties of 2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride?
2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride has a molecular weight of 447.37 g/mol, XLogP of 4.64, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride is sourced from PubChem (CID 175108537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).