2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide

C22H22N4O2 — CID 175114234

IUPAC2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide
SMILES[H]/N=C(\N)C(Oc1ccccc1)c1cccc(C(Oc2ccccc2)/C(N)=N/[H])c1
InChIInChI=1S/C22H22N4O2/c23-21(24)19(27-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22(25)26)28-18-12-5-2-6-13-18/h1-14,19-20H,(H3,23,24)(H3,25,26)
InChIKeyPOLAJTMTXDGTNY-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.80
Rot. Bonds8

About 2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide

2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide (PubChem CID 175114234) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide.

Molecular Properties

Compound Name2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide
PubChem CID175114234
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide
SMILES[H]/N=C(\N)C(Oc1ccccc1)c1cccc(C(Oc2ccccc2)/C(N)=N/[H])c1
InChIInChI=1S/C22H22N4O2/c23-21(24)19(27-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22(25)26)28-18-12-5-2-6-13-18/h1-14,19-20H,(H3,23,24)(H3,25,26)
InChIKeyPOLAJTMTXDGTNY-UHFFFAOYSA-N
XLogP3.80
TPSA118.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.80
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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Related Compounds

2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride
CID 175108537
2,2-diphenylethanimidamide;dihydrochloride
CID 172782287
3-phenoxybutanimidamide
CID 114995804
2-(3-chlorophenoxy)propanimidamide;hydrochloride
CID 160750726
2-(4-benzylphenoxy)propanimidamide
CID 55054330
2-[[4-[(2-amino-2-iminoethoxy)-phenoxymethyl]-3-fluorophenyl]-phenoxymethoxy]ethanimidamide;dihydrochloride
CID 156508182
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 63984205
2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide
CID 175691513
(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 10111369

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide?
The IUPAC name of 2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide (CID 175114234) is 2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide.
What is the SMILES notation for 2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide?
The canonical SMILES for 2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide is [H]/N=C(\N)C(Oc1ccccc1)c1cccc(C(Oc2ccccc2)/C(N)=N/[H])c1.
What is the InChIKey of 2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide?
The InChIKey is POLAJTMTXDGTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-21(24)19(27-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22(25)26)28-18-12-5-2-6-13-18/h1-14,19-20H,(H3,23,24)(H3,25,26).
What are the key properties of 2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide?
2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide has a molecular weight of 374.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide is sourced from PubChem (CID 175114234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).