ethane;1-phenyl-N-(phenylmethyl)methanimine

C16H17N-2 — CID 91576609

IUPACethane;1-phenyl-N-(phenylmethyl)methanimine
SMILESCC.[c-]1ccccc1/C=N/Cc1[c-]cccc1
InChIInChI=1S/C14H11N.C2H6/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-2/h1-7,9,11H,12H2;1-2H3/q-2;/b15-11+;
InChIKeyGINWVCVQABTVBU-KRWCAOSLSA-N
MW223.32 g/mol
LogP3.93
Rot. Bonds3

About ethane;1-phenyl-N-(phenylmethyl)methanimine

ethane;1-phenyl-N-(phenylmethyl)methanimine (PubChem CID 91576609) has the molecular formula C16H17N-2 and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;1-phenyl-N-(phenylmethyl)methanimine.

Molecular Properties

Compound Nameethane;1-phenyl-N-(phenylmethyl)methanimine
PubChem CID91576609
Molecular FormulaC16H17N-2
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Nameethane;1-phenyl-N-(phenylmethyl)methanimine
SMILESCC.[c-]1ccccc1/C=N/Cc1[c-]cccc1
InChIInChI=1S/C14H11N.C2H6/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-2/h1-7,9,11H,12H2;1-2H3/q-2;/b15-11+;
InChIKeyGINWVCVQABTVBU-KRWCAOSLSA-N
XLogP3.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bis-propylideneaniline
CID 129791915
N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 174262416
bis(N-tert-butyl-1-phenylmethanimine);bis(chloropalladium(1+))
CID 13005103
2-methyl-2-pentenal N-allylimine
CID 129747538
lithium N-tert-butyl-1-[3-(tert-butyliminomethyl)benzene-2-id-1-yl]methanimine
CID 138967381
2H-Indeno(4,5-h)isoquinoline
CID 6452601
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189
1-phenyl-N-propylmethanimine;yttrium
CID 58003847
1-methyl-5-methylidene-2H-pyridin-1-ium
CID 58112397
1-(4-methylbenzene-6-id-1-yl)-N-[2-[(2-methylbenzene-6-id-1-yl)methylideneamino]ethyl]methanimine;bis(yttrium)
CID 58604558
1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine
CID 59809511
(3Z)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyridine
CID 59876419

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenyl-N-(phenylmethyl)methanimine?
The IUPAC name of ethane;1-phenyl-N-(phenylmethyl)methanimine (CID 91576609) is ethane;1-phenyl-N-(phenylmethyl)methanimine.
What is the SMILES notation for ethane;1-phenyl-N-(phenylmethyl)methanimine?
The canonical SMILES for ethane;1-phenyl-N-(phenylmethyl)methanimine is CC.[c-]1ccccc1/C=N/Cc1[c-]cccc1.
What is the InChIKey of ethane;1-phenyl-N-(phenylmethyl)methanimine?
The InChIKey is GINWVCVQABTVBU-KRWCAOSLSA-N. The full InChI is InChI=1S/C14H11N.C2H6/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-2/h1-7,9,11H,12H2;1-2H3/q-2;/b15-11+;.
What are the key properties of ethane;1-phenyl-N-(phenylmethyl)methanimine?
ethane;1-phenyl-N-(phenylmethyl)methanimine has a molecular weight of 223.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenyl-N-(phenylmethyl)methanimine is sourced from PubChem (CID 91576609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).