N'-trityloxyethanimidamide;hydrochloride

C21H21ClN2O — CID 54600706

IUPACN'-trityloxyethanimidamide;hydrochloride
SMILESC/C(N)=N/OC(c1ccccc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H20N2O.ClH/c1-17(22)23-24-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,1H3,(H2,22,23);1H
InChIKeyAXNNHDMRRUKVAK-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.71
Rot. Bonds5

About N'-trityloxyethanimidamide;hydrochloride

N'-trityloxyethanimidamide;hydrochloride (PubChem CID 54600706) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is N'-trityloxyethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-trityloxyethanimidamide;hydrochloride
PubChem CID54600706
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC NameN'-trityloxyethanimidamide;hydrochloride
SMILESC/C(N)=N/OC(c1ccccc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H20N2O.ClH/c1-17(22)23-24-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,1H3,(H2,22,23);1H
InChIKeyAXNNHDMRRUKVAK-UHFFFAOYSA-N
XLogP4.71
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N'-trityloxyethanimidamide
CID 5477852
N-[diphenyl-(4-phenylphenyl)methoxy]-1,1-diphenylmethanimine
CID 175230135
N-[bis(4-chlorophenyl)-phenylmethoxy]-1,1-diphenylmethanimine
CID 163288845
(E)-1-phenyl-N-trityloxymethanimine
CID 5382595
methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-trityloxyiminoacetate
CID 59541610
O-trityl ethanethioate
CID 3057355
N'-[(2-chlorophenyl)-diphenylmethyl]ethanimidamide;hydrate;hydrochloride
CID 173455365
2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid;N,N-dimethylacetamide
CID 85351612
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid
CID 10117176
2-trityloxyiminoethanethioic S-acid
CID 87515774
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoethanethioic S-acid
CID 19043530

Frequently Asked Questions

What is the IUPAC name of N'-trityloxyethanimidamide;hydrochloride?
The IUPAC name of N'-trityloxyethanimidamide;hydrochloride (CID 54600706) is N'-trityloxyethanimidamide;hydrochloride.
What is the SMILES notation for N'-trityloxyethanimidamide;hydrochloride?
The canonical SMILES for N'-trityloxyethanimidamide;hydrochloride is C/C(N)=N/OC(c1ccccc1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N'-trityloxyethanimidamide;hydrochloride?
The InChIKey is AXNNHDMRRUKVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O.ClH/c1-17(22)23-24-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,1H3,(H2,22,23);1H.
What are the key properties of N'-trityloxyethanimidamide;hydrochloride?
N'-trityloxyethanimidamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-trityloxyethanimidamide;hydrochloride is sourced from PubChem (CID 54600706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).