N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine

C26H30N2O2 — CID 122184568

IUPACN,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(/C=C/c2ccc(-c3ccc(OC)cc3)cn2)cc1
InChIInChI=1S/C26H30N2O2/c1-4-28(5-2)18-19-30-26-14-7-21(8-15-26)6-12-24-13-9-23(20-27-24)22-10-16-25(29-3)17-11-22/h6-17,20H,4-5,18-19H2,1-3H3/b12-6+
InChIKeyZPYNNJSNTDIBRF-WUXMJOGZSA-N
MW402.54 g/mol
LogP5.65
Rot. Bonds10

About N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine

N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine (PubChem CID 122184568) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine
PubChem CID122184568
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(/C=C/c2ccc(-c3ccc(OC)cc3)cn2)cc1
InChIInChI=1S/C26H30N2O2/c1-4-28(5-2)18-19-30-26-14-7-21(8-15-26)6-12-24-13-9-23(20-27-24)22-10-16-25(29-3)17-11-22/h6-17,20H,4-5,18-19H2,1-3H3/b12-6+
InChIKeyZPYNNJSNTDIBRF-WUXMJOGZSA-N
XLogP5.65
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine (CID 122184568) is N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine is CCN(CC)CCOc1ccc(/C=C/c2ccc(-c3ccc(OC)cc3)cn2)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine?
The InChIKey is ZPYNNJSNTDIBRF-WUXMJOGZSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-4-28(5-2)18-19-30-26-14-7-21(8-15-26)6-12-24-13-9-23(20-27-24)22-10-16-25(29-3)17-11-22/h6-17,20H,4-5,18-19H2,1-3H3/b12-6+.
What are the key properties of N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine?
N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine has a molecular weight of 402.54 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridinyl]ethenyl]phenoxy]ethanamine is sourced from PubChem (CID 122184568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).