methane;N-methylaniline;N-phenylmethanimine

C15H20N2 — CID 158138323

IUPACmethane;N-methylaniline;N-phenylmethanimine
SMILESC.C=Nc1ccccc1.CNc1ccccc1
InChIInChI=1S/C7H9N.C7H7N.CH4/c2*1-8-7-5-3-2-4-6-7;/h2-6,8H,1H3;2-6H,1H2;1H4
InChIKeyFTPYJFYKCVEBCS-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.38
Rot. Bonds2

About methane;N-methylaniline;N-phenylmethanimine

methane;N-methylaniline;N-phenylmethanimine (PubChem CID 158138323) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methane;N-methylaniline;N-phenylmethanimine.

Molecular Properties

Compound Namemethane;N-methylaniline;N-phenylmethanimine
PubChem CID158138323
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Namemethane;N-methylaniline;N-phenylmethanimine
SMILESC.C=Nc1ccccc1.CNc1ccccc1
InChIInChI=1S/C7H9N.C7H7N.CH4/c2*1-8-7-5-3-2-4-6-7;/h2-6,8H,1H3;2-6H,1H2;1H4
InChIKeyFTPYJFYKCVEBCS-UHFFFAOYSA-N
XLogP4.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 157283458
CID 157283458
magnesium;N-methylaniline;bromide
CID 173157225
potassium;hydride;N-methylaniline
CID 174147350
ethene;N-phenylmethanimine;N-[(E)-prop-1-enyl]aniline
CID 142069096
ethane;N-methyl-4-phenyldiazenylaniline
CID 90785372
magnesium;hydride;N-methylaniline;hydrobromide
CID 173230530
azane;cyclopropane;N-methylaniline
CID 23460316
difluoromethane;ethane;fluoromethane;N-phenylmethanimine
CID 91088644
butane;ethane;N-methylaniline
CID 143420786
N-methylaniline;piperazine
CID 157393585
[4-(methylamino)phenyl]-oxido-phenyliminoazanium
CID 18958146
N-methylazulen-2-amine
CID 175045574

Frequently Asked Questions

What is the IUPAC name of methane;N-methylaniline;N-phenylmethanimine?
The IUPAC name of methane;N-methylaniline;N-phenylmethanimine (CID 158138323) is methane;N-methylaniline;N-phenylmethanimine.
What is the SMILES notation for methane;N-methylaniline;N-phenylmethanimine?
The canonical SMILES for methane;N-methylaniline;N-phenylmethanimine is C.C=Nc1ccccc1.CNc1ccccc1.
What is the InChIKey of methane;N-methylaniline;N-phenylmethanimine?
The InChIKey is FTPYJFYKCVEBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C7H7N.CH4/c2*1-8-7-5-3-2-4-6-7;/h2-6,8H,1H3;2-6H,1H2;1H4.
What are the key properties of methane;N-methylaniline;N-phenylmethanimine?
methane;N-methylaniline;N-phenylmethanimine has a molecular weight of 228.34 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methylaniline;N-phenylmethanimine is sourced from PubChem (CID 158138323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).