N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene

C20H27N — CID 70548327

IUPACN-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene
SMILESC=Cc1ccc(CCNCCC)cc1.Cc1ccccc1
InChIInChI=1S/C13H19N.C7H8/c1-3-10-14-11-9-13-7-5-12(4-2)6-8-13;1-7-5-3-2-4-6-7/h4-8,14H,2-3,9-11H2,1H3;2-6H,1H3
InChIKeyMFLOXJFQEUOJFY-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.87
Rot. Bonds6

About N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene

N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene (PubChem CID 70548327) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene.

Molecular Properties

Compound NameN-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene
PubChem CID70548327
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene
SMILESC=Cc1ccc(CCNCCC)cc1.Cc1ccccc1
InChIInChI=1S/C13H19N.C7H8/c1-3-10-14-11-9-13-7-5-12(4-2)6-8-13;1-7-5-3-2-4-6-7/h4-8,14H,2-3,9-11H2,1H3;2-6H,1H3
InChIKeyMFLOXJFQEUOJFY-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.87
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

2-(4-ethenylphenyl)-N-ethylethanamine
CID 20507043
N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 139721911
ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
CID 144821977
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
N-pentylpentan-1-amine;styrene
CID 69462371
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CID 159659441
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine
CID 113410199
N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790228
N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 151323239
1-ethenyl-4-fluorobenzene;toluene
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene?
The IUPAC name of N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene (CID 70548327) is N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene.
What is the SMILES notation for N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene?
The canonical SMILES for N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene is C=Cc1ccc(CCNCCC)cc1.Cc1ccccc1.
What is the InChIKey of N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene?
The InChIKey is MFLOXJFQEUOJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C7H8/c1-3-10-14-11-9-13-7-5-12(4-2)6-8-13;1-7-5-3-2-4-6-7/h4-8,14H,2-3,9-11H2,1H3;2-6H,1H3.
What are the key properties of N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene?
N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene has a molecular weight of 281.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene is sourced from PubChem (CID 70548327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).