5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine

C15H15ClN2 — CID 134417401

IUPAC5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine
SMILESC=C(C)Nc1ncc(-c2cccc(Cl)c2)cc1C
InChIInChI=1S/C15H15ClN2/c1-10(2)18-15-11(3)7-13(9-17-15)12-5-4-6-14(16)8-12/h4-9H,1H2,2-3H3,(H,17,18)
InChIKeyHRBUSDVIJGMPGY-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.66
Rot. Bonds3

About 5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine

5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine (PubChem CID 134417401) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine
PubChem CID134417401
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine
SMILESC=C(C)Nc1ncc(-c2cccc(Cl)c2)cc1C
InChIInChI=1S/C15H15ClN2/c1-10(2)18-15-11(3)7-13(9-17-15)12-5-4-6-14(16)8-12/h4-9H,1H2,2-3H3,(H,17,18)
InChIKeyHRBUSDVIJGMPGY-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine (CID 134417401) is 5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine is C=C(C)Nc1ncc(-c2cccc(Cl)c2)cc1C.
What is the InChIKey of 5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine?
The InChIKey is HRBUSDVIJGMPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-10(2)18-15-11(3)7-13(9-17-15)12-5-4-6-14(16)8-12/h4-9H,1H2,2-3H3,(H,17,18).
What are the key properties of 5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine?
5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine has a molecular weight of 258.75 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-methyl-N-prop-1-en-2-ylpyridin-2-amine is sourced from PubChem (CID 134417401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).