(1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine

C17H20N2 — CID 145002436

IUPAC(1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine
SMILESC=Cc1ccc(-c2cccc([C@H](C)NC)n2)cc1C
InChIInChI=1S/C17H20N2/c1-5-14-9-10-15(11-12(14)2)17-8-6-7-16(19-17)13(3)18-4/h5-11,13,18H,1H2,2-4H3/t13-/m0/s1
InChIKeyRTGBNFYRUJBOCO-ZDUSSCGKSA-N
MW252.36 g/mol
LogP3.98
Rot. Bonds4

About (1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine

(1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine (PubChem CID 145002436) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine
PubChem CID145002436
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine
SMILESC=Cc1ccc(-c2cccc([C@H](C)NC)n2)cc1C
InChIInChI=1S/C17H20N2/c1-5-14-9-10-15(11-12(14)2)17-8-6-7-16(19-17)13(3)18-4/h5-11,13,18H,1H2,2-4H3/t13-/m0/s1
InChIKeyRTGBNFYRUJBOCO-ZDUSSCGKSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine?
The IUPAC name of (1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine (CID 145002436) is (1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine.
What is the SMILES notation for (1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine?
The canonical SMILES for (1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine is C=Cc1ccc(-c2cccc([C@H](C)NC)n2)cc1C.
What is the InChIKey of (1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine?
The InChIKey is RTGBNFYRUJBOCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2/c1-5-14-9-10-15(11-12(14)2)17-8-6-7-16(19-17)13(3)18-4/h5-11,13,18H,1H2,2-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine?
(1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(4-ethenyl-3-methylphenyl)-2-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 145002436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).