methyl 2-benzhydryliminoacetate

C16H15NO2 — CID 12624354

IUPACmethyl 2-benzhydryliminoacetate
SMILESCOC(=O)/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-15(18)12-17-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16H,1H3/b17-12+
InChIKeyRAYLELVERLVXCS-SFQUDFHCSA-N
MW253.30 g/mol
LogP3.02
Rot. Bonds4

About methyl 2-benzhydryliminoacetate

methyl 2-benzhydryliminoacetate (PubChem CID 12624354) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-benzhydryliminoacetate.

Molecular Properties

Compound Namemethyl 2-benzhydryliminoacetate
PubChem CID12624354
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-benzhydryliminoacetate
SMILESCOC(=O)/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-15(18)12-17-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16H,1H3/b17-12+
InChIKeyRAYLELVERLVXCS-SFQUDFHCSA-N
XLogP3.02
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid, ((1-phenylethyl)imino)-, ethyl ester, (S)-
CID 11469797
N-benzyl-2-methoxy-2-oxoethanimine oxide
CID 10921382
Acetic acid, 2-[[(1R)-1-phenylethyl]imino]-, ethyl ester
CID 10889034
Butyl 2-benzhydryliminoacetate
CID 10935313
2H-1,4-Oxazin-2-one, 5,6-dihydro-5-phenyl-, (5S)-
CID 10942968
(3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one
CID 11183299
Tert-butyl 2-benzhydryliminoacetate
CID 11335413
Acetic acid, [(phenylmethyl)imino]-, ethyl ester
CID 11344516
ethyl (2E)-[(diphenylmethyl)imino]ethanoate
CID 11402900
Methyl (2Z)-{[(1R)-1-phenylethyl]imino}acetate
CID 86598924
Methyl 2-[(3,4-difluorophenyl)methylimino]acetate
CID 139818736
Methyl 2-[(4-fluorophenyl)methylimino]acetate
CID 139818805

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzhydryliminoacetate?
The IUPAC name of methyl 2-benzhydryliminoacetate (CID 12624354) is methyl 2-benzhydryliminoacetate.
What is the SMILES notation for methyl 2-benzhydryliminoacetate?
The canonical SMILES for methyl 2-benzhydryliminoacetate is COC(=O)/C=N/C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-benzhydryliminoacetate?
The InChIKey is RAYLELVERLVXCS-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-15(18)12-17-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16H,1H3/b17-12+.
What are the key properties of methyl 2-benzhydryliminoacetate?
methyl 2-benzhydryliminoacetate has a molecular weight of 253.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzhydryliminoacetate is sourced from PubChem (CID 12624354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).