1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine

C16H20N2 — CID 113297034

IUPAC1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCCc1ccc(C(C)(N)c2cncc(C)c2)cc1
InChIInChI=1S/C16H20N2/c1-4-13-5-7-14(8-6-13)16(3,17)15-9-12(2)10-18-11-15/h5-11H,4,17H2,1-3H3
InChIKeyXYNROSAGIKJZQJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.17
Rot. Bonds3

About 1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine

1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine (PubChem CID 113297034) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine
PubChem CID113297034
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCCc1ccc(C(C)(N)c2cncc(C)c2)cc1
InChIInChI=1S/C16H20N2/c1-4-13-5-7-14(8-6-13)16(3,17)15-9-12(2)10-18-11-15/h5-11H,4,17H2,1-3H3
InChIKeyXYNROSAGIKJZQJ-UHFFFAOYSA-N
XLogP3.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine (CID 113297034) is 1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine is CCc1ccc(C(C)(N)c2cncc(C)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine?
The InChIKey is XYNROSAGIKJZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-13-5-7-14(8-6-13)16(3,17)15-9-12(2)10-18-11-15/h5-11H,4,17H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine?
1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-1-(5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 113297034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).