1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine

C16H18N2 — CID 142929001

IUPAC1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine
SMILESC=C(NCc1ccccn1)c1ccc(CC)cc1
InChIInChI=1S/C16H18N2/c1-3-14-7-9-15(10-8-14)13(2)18-12-16-6-4-5-11-17-16/h4-11,18H,2-3,12H2,1H3
InChIKeyVALICKPVPCZCDV-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.40
Rot. Bonds5

About 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine

1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine (PubChem CID 142929001) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine
PubChem CID142929001
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine
SMILESC=C(NCc1ccccn1)c1ccc(CC)cc1
InChIInChI=1S/C16H18N2/c1-3-14-7-9-15(10-8-14)13(2)18-12-16-6-4-5-11-17-16/h4-11,18H,2-3,12H2,1H3
InChIKeyVALICKPVPCZCDV-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
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CID 59099570
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methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine?
The IUPAC name of 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine (CID 142929001) is 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine is C=C(NCc1ccccn1)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine?
The InChIKey is VALICKPVPCZCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-14-7-9-15(10-8-14)13(2)18-12-16-6-4-5-11-17-16/h4-11,18H,2-3,12H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine?
1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine has a molecular weight of 238.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)ethenamine is sourced from PubChem (CID 142929001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).