2-(4-ethenylphenyl)-N-ethylethanamine

C12H17N — CID 20507043

IUPAC2-(4-ethenylphenyl)-N-ethylethanamine
SMILESC=Cc1ccc(CCNCC)cc1
InChIInChI=1S/C12H17N/c1-3-11-5-7-12(8-6-11)9-10-13-4-2/h3,5-8,13H,1,4,9-10H2,2H3
InChIKeyZOOBUWGJRXPMCA-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-ethenylphenyl)-N-ethylethanamine

2-(4-ethenylphenyl)-N-ethylethanamine (PubChem CID 20507043) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-ethenylphenyl)-N-ethylethanamine
PubChem CID20507043
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-(4-ethenylphenyl)-N-ethylethanamine
SMILESC=Cc1ccc(CCNCC)cc1
InChIInChI=1S/C12H17N/c1-3-11-5-7-12(8-6-11)9-10-13-4-2/h3,5-8,13H,1,4,9-10H2,2H3
InChIKeyZOOBUWGJRXPMCA-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 139721911
N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene
CID 70548327
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 105346416
N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 151323239
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
CID 144821977
N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 145320752
2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine
CID 144821853
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235754
S-[4-[2-(ethylamino)ethyl]phenyl]thiohydroxylamine
CID 143713832

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-ethenylphenyl)-N-ethylethanamine (CID 20507043) is 2-(4-ethenylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-ethenylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-ethenylphenyl)-N-ethylethanamine is C=Cc1ccc(CCNCC)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)-N-ethylethanamine?
The InChIKey is ZOOBUWGJRXPMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-11-5-7-12(8-6-11)9-10-13-4-2/h3,5-8,13H,1,4,9-10H2,2H3.
What are the key properties of 2-(4-ethenylphenyl)-N-ethylethanamine?
2-(4-ethenylphenyl)-N-ethylethanamine has a molecular weight of 175.27 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)-N-ethylethanamine is sourced from PubChem (CID 20507043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).