(E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine

C14H21N — CID 168891341

IUPAC(E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine
SMILESCCN/C(C)=C(\C)c1ccc(CC)cc1
InChIInChI=1S/C14H21N/c1-5-13-7-9-14(10-8-13)11(3)12(4)15-6-2/h7-10,15H,5-6H2,1-4H3/b12-11+
InChIKeyVELTTZNAWFCQHT-VAWYXSNFSA-N
MW203.33 g/mol
LogP3.61
Rot. Bonds4

About (E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine

(E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine (PubChem CID 168891341) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine
PubChem CID168891341
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine
SMILESCCN/C(C)=C(\C)c1ccc(CC)cc1
InChIInChI=1S/C14H21N/c1-5-13-7-9-14(10-8-13)11(3)12(4)15-6-2/h7-10,15H,5-6H2,1-4H3/b12-11+
InChIKeyVELTTZNAWFCQHT-VAWYXSNFSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(4-ethylphenyl)ethenamine
CID 89105478
N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine
CID 149002722
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
4-ethyl-N-hydroxy-N'-methylbenzenecarboximidamide
CID 121428385
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
4-ethylbenzoyl iodide
CID 89147367
1-ethyl-4-(1-methoxyethenyl)benzene
CID 89277567

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine?
The IUPAC name of (E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine (CID 168891341) is (E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine?
The canonical SMILES for (E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine is CCN/C(C)=C(\C)c1ccc(CC)cc1.
What is the InChIKey of (E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine?
The InChIKey is VELTTZNAWFCQHT-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H21N/c1-5-13-7-9-14(10-8-13)11(3)12(4)15-6-2/h7-10,15H,5-6H2,1-4H3/b12-11+.
What are the key properties of (E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine?
(E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine has a molecular weight of 203.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(4-ethylphenyl)but-2-en-2-amine is sourced from PubChem (CID 168891341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).