(E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine

C20H22N2O — CID 6474839

IUPAC(E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\c1ccccc1CN1CCOCC1
InChIInChI=1S/C20H22N2O/c1-2-7-18(8-3-1)9-6-12-21-20-11-5-4-10-19(20)17-22-13-15-23-16-14-22/h1-12H,13-17H2/b9-6+,21-12+
InChIKeyFHNNTYPANCPYHA-XZHCKZKCSA-N
MW306.41 g/mol
LogP3.93
Rot. Bonds5

About (E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine

(E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine (PubChem CID 6474839) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine
PubChem CID6474839
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\c1ccccc1CN1CCOCC1
InChIInChI=1S/C20H22N2O/c1-2-7-18(8-3-1)9-6-12-21-20-11-5-4-10-19(20)17-22-13-15-23-16-14-22/h1-12H,13-17H2/b9-6+,21-12+
InChIKeyFHNNTYPANCPYHA-XZHCKZKCSA-N
XLogP3.93
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine?
The IUPAC name of (E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine (CID 6474839) is (E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine is C(=C/c1ccccc1)\C=N\c1ccccc1CN1CCOCC1.
What is the InChIKey of (E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine?
The InChIKey is FHNNTYPANCPYHA-XZHCKZKCSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-7-18(8-3-1)9-6-12-21-20-11-5-4-10-19(20)17-22-13-15-23-16-14-22/h1-12H,13-17H2/b9-6+,21-12+.
What are the key properties of (E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine?
(E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine has a molecular weight of 306.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 6474839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).