(E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine

C17H19ClN2O — CID 22262903

IUPAC(E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine
SMILESCNC(C)C/C=C/c1cncc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O/c1-13(19-2)4-3-5-14-10-17(12-20-11-14)21-16-8-6-15(18)7-9-16/h3,5-13,19H,4H2,1-2H3/b5-3+
InChIKeyVCFWBIJAXASVNG-HWKANZROSA-N
MW302.81 g/mol
LogP4.54
Rot. Bonds6

About (E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine

(E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine (PubChem CID 22262903) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is (E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name(E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine
PubChem CID22262903
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name(E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine
SMILESCNC(C)C/C=C/c1cncc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O/c1-13(19-2)4-3-5-14-10-17(12-20-11-14)21-16-8-6-15(18)7-9-16/h3,5-13,19H,4H2,1-2H3/b5-3+
InChIKeyVCFWBIJAXASVNG-HWKANZROSA-N
XLogP4.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine?
The IUPAC name of (E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine (CID 22262903) is (E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine.
What is the SMILES notation for (E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine?
The canonical SMILES for (E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine is CNC(C)C/C=C/c1cncc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of (E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine?
The InChIKey is VCFWBIJAXASVNG-HWKANZROSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13(19-2)4-3-5-14-10-17(12-20-11-14)21-16-8-6-15(18)7-9-16/h3,5-13,19H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine?
(E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine has a molecular weight of 302.81 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine is sourced from PubChem (CID 22262903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).