4-ethenyl-N,N-diethylaniline;hydrochloride

C12H18ClN — CID 67541310

IUPAC4-ethenyl-N,N-diethylaniline;hydrochloride
SMILESC=Cc1ccc(N(CC)CC)cc1.Cl
InChIInChI=1S/C12H17N.ClH/c1-4-11-7-9-12(10-8-11)13(5-2)6-3;/h4,7-10H,1,5-6H2,2-3H3;1H
InChIKeyKJCJEIVPKSGGQA-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.60
Rot. Bonds4

About 4-ethenyl-N,N-diethylaniline;hydrochloride

4-ethenyl-N,N-diethylaniline;hydrochloride (PubChem CID 67541310) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 4-ethenyl-N,N-diethylaniline;hydrochloride.

Molecular Properties

Compound Name4-ethenyl-N,N-diethylaniline;hydrochloride
PubChem CID67541310
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name4-ethenyl-N,N-diethylaniline;hydrochloride
SMILESC=Cc1ccc(N(CC)CC)cc1.Cl
InChIInChI=1S/C12H17N.ClH/c1-4-11-7-9-12(10-8-11)13(5-2)6-3;/h4,7-10H,1,5-6H2,2-3H3;1H
InChIKeyKJCJEIVPKSGGQA-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 89377389
4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline
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1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
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1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
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4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
CID 158914965
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol
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4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
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4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline
CID 23067785
4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline
CID 66815318
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
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CID 67763513

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,N-diethylaniline;hydrochloride?
The IUPAC name of 4-ethenyl-N,N-diethylaniline;hydrochloride (CID 67541310) is 4-ethenyl-N,N-diethylaniline;hydrochloride.
What is the SMILES notation for 4-ethenyl-N,N-diethylaniline;hydrochloride?
The canonical SMILES for 4-ethenyl-N,N-diethylaniline;hydrochloride is C=Cc1ccc(N(CC)CC)cc1.Cl.
What is the InChIKey of 4-ethenyl-N,N-diethylaniline;hydrochloride?
The InChIKey is KJCJEIVPKSGGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-4-11-7-9-12(10-8-11)13(5-2)6-3;/h4,7-10H,1,5-6H2,2-3H3;1H.
What are the key properties of 4-ethenyl-N,N-diethylaniline;hydrochloride?
4-ethenyl-N,N-diethylaniline;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N-diethylaniline;hydrochloride is sourced from PubChem (CID 67541310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).