(E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine

C19H23NO3 — CID 14562487

IUPAC(E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine
SMILESCc1cccc(Oc2ccc(OCCO/N=C/C(C)C)cc2)c1
InChIInChI=1S/C19H23NO3/c1-15(2)14-20-22-12-11-21-17-7-9-18(10-8-17)23-19-6-4-5-16(3)13-19/h4-10,13-15H,11-12H2,1-3H3/b20-14+
InChIKeyGOLLDESYBBRFHW-XSFVSMFZSA-N
MW313.40 g/mol
LogP4.82
Rot. Bonds8

About (E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine

(E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine (PubChem CID 14562487) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine.

Molecular Properties

Compound Name(E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine
PubChem CID14562487
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine
SMILESCc1cccc(Oc2ccc(OCCO/N=C/C(C)C)cc2)c1
InChIInChI=1S/C19H23NO3/c1-15(2)14-20-22-12-11-21-17-7-9-18(10-8-17)23-19-6-4-5-16(3)13-19/h4-10,13-15H,11-12H2,1-3H3/b20-14+
InChIKeyGOLLDESYBBRFHW-XSFVSMFZSA-N
XLogP4.82
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine?
The IUPAC name of (E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine (CID 14562487) is (E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine.
What is the SMILES notation for (E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine?
The canonical SMILES for (E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine is Cc1cccc(Oc2ccc(OCCO/N=C/C(C)C)cc2)c1.
What is the InChIKey of (E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine?
The InChIKey is GOLLDESYBBRFHW-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15(2)14-20-22-12-11-21-17-7-9-18(10-8-17)23-19-6-4-5-16(3)13-19/h4-10,13-15H,11-12H2,1-3H3/b20-14+.
What are the key properties of (E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine?
(E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine has a molecular weight of 313.40 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[2-[4-(3-methylphenoxy)phenoxy]ethoxy]propan-1-imine is sourced from PubChem (CID 14562487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).