methyl 2-amino-N-benzhydrylethanimidate

C16H18N2O — CID 141033873

IUPACmethyl 2-amino-N-benzhydrylethanimidate
SMILESCO/C(CN)=N\C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-19-15(12-17)18-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12,17H2,1H3/b18-15-
InChIKeyVNLGFQBSCCGAOB-SDXDJHTJSA-N
MW254.33 g/mol
LogP2.78
Rot. Bonds4

About methyl 2-amino-N-benzhydrylethanimidate

methyl 2-amino-N-benzhydrylethanimidate (PubChem CID 141033873) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 2-amino-N-benzhydrylethanimidate.

Molecular Properties

Compound Namemethyl 2-amino-N-benzhydrylethanimidate
PubChem CID141033873
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Namemethyl 2-amino-N-benzhydrylethanimidate
SMILESCO/C(CN)=N\C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-19-15(12-17)18-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12,17H2,1H3/b18-15-
InChIKeyVNLGFQBSCCGAOB-SDXDJHTJSA-N
XLogP2.78
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methyl 2-amino-N-benzhydrylethanimidate?
The IUPAC name of methyl 2-amino-N-benzhydrylethanimidate (CID 141033873) is methyl 2-amino-N-benzhydrylethanimidate.
What is the SMILES notation for methyl 2-amino-N-benzhydrylethanimidate?
The canonical SMILES for methyl 2-amino-N-benzhydrylethanimidate is CO/C(CN)=N\C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-amino-N-benzhydrylethanimidate?
The InChIKey is VNLGFQBSCCGAOB-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-15(12-17)18-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12,17H2,1H3/b18-15-.
What are the key properties of methyl 2-amino-N-benzhydrylethanimidate?
methyl 2-amino-N-benzhydrylethanimidate has a molecular weight of 254.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-N-benzhydrylethanimidate is sourced from PubChem (CID 141033873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).