4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline

C15H23NO — CID 134525236

IUPAC4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline
SMILESC=Cc1ccc(N(CC)CC)cc1OC(C)C
InChIInChI=1S/C15H23NO/c1-6-13-9-10-14(16(7-2)8-3)11-15(13)17-12(4)5/h6,9-12H,1,7-8H2,2-5H3
InChIKeyUHLOSMYPTIBYOC-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.96
Rot. Bonds6

About 4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline

4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline (PubChem CID 134525236) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline
PubChem CID134525236
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline
SMILESC=Cc1ccc(N(CC)CC)cc1OC(C)C
InChIInChI=1S/C15H23NO/c1-6-13-9-10-14(16(7-2)8-3)11-15(13)17-12(4)5/h6,9-12H,1,7-8H2,2-5H3
InChIKeyUHLOSMYPTIBYOC-UHFFFAOYSA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

Pyronine
CID 7085
4-Methyl-7-diethylaminocoumarin
CID 7050
Damc
CID 6867
Pyronine B
CID 16524
7-Diethylaminocoumarin
CID 88598
2H-1-Benzopyran-2-one, 3-acetyl-7-(diethylamino)-
CID 688763
2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
CID 120014
7-(Diethylamino)-4-hydroxy-2H-1-benzopyran-2-one
CID 54680650
7-(Diethylamino)coumarin-3-carbonitrile
CID 688937
N,N-Diethyl-m-phenetidine
CID 74625
Coumarin 35
CID 94523
7-(Diethylamino)-2-oxo-2H-chromene-3-carbaldehyde
CID 143191

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline?
The IUPAC name of 4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline (CID 134525236) is 4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline.
What is the SMILES notation for 4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline?
The canonical SMILES for 4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline is C=Cc1ccc(N(CC)CC)cc1OC(C)C.
What is the InChIKey of 4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline?
The InChIKey is UHLOSMYPTIBYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-13-9-10-14(16(7-2)8-3)11-15(13)17-12(4)5/h6,9-12H,1,7-8H2,2-5H3.
What are the key properties of 4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline?
4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline has a molecular weight of 233.35 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N-diethyl-3-propan-2-yloxyaniline is sourced from PubChem (CID 134525236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).