acetaldehyde;ethane;2-methylaniline

C11H19NO — CID 144857558

IUPACacetaldehyde;ethane;2-methylaniline
SMILESCC.CC=O.Cc1ccccc1N
InChIInChI=1S/C7H9N.C2H4O.C2H6/c1-6-4-2-3-5-7(6)8;1-2-3;1-2/h2-5H,8H2,1H3;2H,1H3;1-2H3
InChIKeyIIQUKIDIVVMBPY-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.81
Rot. Bonds

About acetaldehyde;ethane;2-methylaniline

acetaldehyde;ethane;2-methylaniline (PubChem CID 144857558) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is acetaldehyde;ethane;2-methylaniline.

Molecular Properties

Compound Nameacetaldehyde;ethane;2-methylaniline
PubChem CID144857558
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameacetaldehyde;ethane;2-methylaniline
SMILESCC.CC=O.Cc1ccccc1N
InChIInChI=1S/C7H9N.C2H4O.C2H6/c1-6-4-2-3-5-7(6)8;1-2-3;1-2/h2-5H,8H2,1H3;2H,1H3;1-2H3
InChIKeyIIQUKIDIVVMBPY-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;methanamine;2-methylaniline
CID 91356397
CID 175394275
CID 175394275
CID 67897123
CID 67897123
2-methylaniline;dihydrochloride
CID 23331471
CID 159002136
CID 159002136
tris(2-methylaniline);phosphane
CID 158408493
ethane;2-methylaniline;propane
CID 144801075
deuteriomethane;2-methylaniline
CID 90744870
2-methylaniline;2-methylpropane
CID 91027920
N,N-dimethylmethanamine;2-methylaniline
CID 174412120
bis(2-methylaniline);propane
CID 158079245
2,6-dimethylaniline;2-methylaniline
CID 160714609

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;2-methylaniline?
The IUPAC name of acetaldehyde;ethane;2-methylaniline (CID 144857558) is acetaldehyde;ethane;2-methylaniline.
What is the SMILES notation for acetaldehyde;ethane;2-methylaniline?
The canonical SMILES for acetaldehyde;ethane;2-methylaniline is CC.CC=O.Cc1ccccc1N.
What is the InChIKey of acetaldehyde;ethane;2-methylaniline?
The InChIKey is IIQUKIDIVVMBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H4O.C2H6/c1-6-4-2-3-5-7(6)8;1-2-3;1-2/h2-5H,8H2,1H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;2-methylaniline?
acetaldehyde;ethane;2-methylaniline has a molecular weight of 181.28 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;2-methylaniline is sourced from PubChem (CID 144857558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).