2,3-diethyl-6-(2-phenylethenyl)aniline

C18H21N — CID 70441795

IUPAC2,3-diethyl-6-(2-phenylethenyl)aniline
SMILESCCc1ccc(C=Cc2ccccc2)c(N)c1CC
InChIInChI=1S/C18H21N/c1-3-15-12-13-16(18(19)17(15)4-2)11-10-14-8-6-5-7-9-14/h5-13H,3-4,19H2,1-2H3
InChIKeyZXFKCJGWIJBMRR-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.56
Rot. Bonds4

About 2,3-diethyl-6-(2-phenylethenyl)aniline

2,3-diethyl-6-(2-phenylethenyl)aniline (PubChem CID 70441795) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,3-diethyl-6-(2-phenylethenyl)aniline.

Molecular Properties

Compound Name2,3-diethyl-6-(2-phenylethenyl)aniline
PubChem CID70441795
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2,3-diethyl-6-(2-phenylethenyl)aniline
SMILESCCc1ccc(C=Cc2ccccc2)c(N)c1CC
InChIInChI=1S/C18H21N/c1-3-15-12-13-16(18(19)17(15)4-2)11-10-14-8-6-5-7-9-14/h5-13H,3-4,19H2,1-2H3
InChIKeyZXFKCJGWIJBMRR-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
2,3,6-triethylaniline
CID 21412862
3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol
CID 174558761
3-(2-phenylethenyl)benzene-1,2-diamine;propane-1-thiol
CID 161183014
2,3-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357253
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
4-ethyl-1-(2-phenylethenyl)-9H-fluorene
CID 150068313
2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene
CID 143322291
1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine
CID 174680180
2-(2-phenylethenyl)benzenesulfonamide
CID 149433310
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-6-(2-phenylethenyl)aniline?
The IUPAC name of 2,3-diethyl-6-(2-phenylethenyl)aniline (CID 70441795) is 2,3-diethyl-6-(2-phenylethenyl)aniline.
What is the SMILES notation for 2,3-diethyl-6-(2-phenylethenyl)aniline?
The canonical SMILES for 2,3-diethyl-6-(2-phenylethenyl)aniline is CCc1ccc(C=Cc2ccccc2)c(N)c1CC.
What is the InChIKey of 2,3-diethyl-6-(2-phenylethenyl)aniline?
The InChIKey is ZXFKCJGWIJBMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-15-12-13-16(18(19)17(15)4-2)11-10-14-8-6-5-7-9-14/h5-13H,3-4,19H2,1-2H3.
What are the key properties of 2,3-diethyl-6-(2-phenylethenyl)aniline?
2,3-diethyl-6-(2-phenylethenyl)aniline has a molecular weight of 251.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-6-(2-phenylethenyl)aniline is sourced from PubChem (CID 70441795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).