ethenol;N,N,4-trimethylaniline

C13H21NO2 — CID 161109749

IUPACethenol;N,N,4-trimethylaniline
SMILESC=CO.C=CO.Cc1ccc(N(C)C)cc1
InChIInChI=1S/C9H13N.2C2H4O/c1-8-4-6-9(7-5-8)10(2)3;2*1-2-3/h4-7H,1-3H3;2*2-3H,1H2
InChIKeyUJNNGYNRTZVBGS-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.44
Rot. Bonds1

About ethenol;N,N,4-trimethylaniline

ethenol;N,N,4-trimethylaniline (PubChem CID 161109749) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is ethenol;N,N,4-trimethylaniline.

Molecular Properties

Compound Nameethenol;N,N,4-trimethylaniline
PubChem CID161109749
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameethenol;N,N,4-trimethylaniline
SMILESC=CO.C=CO.Cc1ccc(N(C)C)cc1
InChIInChI=1S/C9H13N.2C2H4O/c1-8-4-6-9(7-5-8)10(2)3;2*1-2-3/h4-7H,1-3H3;2*2-3H,1H2
InChIKeyUJNNGYNRTZVBGS-UHFFFAOYSA-N
XLogP3.44
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
1-[N-(1-hydroxyprop-2-enyl)-4-methylanilino]prop-2-en-1-ol
CID 66614232
bis[4-(dimethylamino)phenyl]-(4-methylphenyl)methanol
CID 3639181
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
ethane;N,N,4-trimethylaniline;1,2,3-trimethylbenzene
CID 142152742
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine
CID 163142986
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
1-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-yn-1-ol
CID 90194909
bis(4-ethenyl-N,N-dimethylaniline);4-methylbenzenesulfonic acid;2-methylprop-2-enoic acid
CID 173308124
1-ethenyl-1-(4-methylphenyl)hydrazine;methanamine
CID 143530000

Frequently Asked Questions

What is the IUPAC name of ethenol;N,N,4-trimethylaniline?
The IUPAC name of ethenol;N,N,4-trimethylaniline (CID 161109749) is ethenol;N,N,4-trimethylaniline.
What is the SMILES notation for ethenol;N,N,4-trimethylaniline?
The canonical SMILES for ethenol;N,N,4-trimethylaniline is C=CO.C=CO.Cc1ccc(N(C)C)cc1.
What is the InChIKey of ethenol;N,N,4-trimethylaniline?
The InChIKey is UJNNGYNRTZVBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.2C2H4O/c1-8-4-6-9(7-5-8)10(2)3;2*1-2-3/h4-7H,1-3H3;2*2-3H,1H2.
What are the key properties of ethenol;N,N,4-trimethylaniline?
ethenol;N,N,4-trimethylaniline has a molecular weight of 223.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;N,N,4-trimethylaniline is sourced from PubChem (CID 161109749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).