1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine

C15H22N2O2 — CID 657579

IUPAC1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine
SMILESCOc1ccc(/C=N/CCCN2CCOCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-18-15-5-3-14(4-6-15)13-16-7-2-8-17-9-11-19-12-10-17/h3-6,13H,2,7-12H2,1H3/b16-13+
InChIKeyJNHMOIOBCVLGHX-DTQAZKPQSA-N
MW262.35 g/mol
LogP1.84
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine

1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine (PubChem CID 657579) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine
PubChem CID657579
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine
SMILESCOc1ccc(/C=N/CCCN2CCOCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-18-15-5-3-14(4-6-15)13-16-7-2-8-17-9-11-19-12-10-17/h3-6,13H,2,7-12H2,1H3/b16-13+
InChIKeyJNHMOIOBCVLGHX-DTQAZKPQSA-N
XLogP1.84
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.84
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine (CID 657579) is 1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine is COc1ccc(/C=N/CCCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine?
The InChIKey is JNHMOIOBCVLGHX-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-15-5-3-14(4-6-15)13-16-7-2-8-17-9-11-19-12-10-17/h3-6,13H,2,7-12H2,1H3/b16-13+.
What are the key properties of 1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine?
1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine has a molecular weight of 262.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)methanimine is sourced from PubChem (CID 657579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).