(2,6-dimethylmorpholin-4-yl)-phenylmethanimine

C13H18N2O — CID 57253014

IUPAC(2,6-dimethylmorpholin-4-yl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)N1CC(C)OC(C)C1
InChIInChI=1S/C13H18N2O/c1-10-8-15(9-11(2)16-10)13(14)12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3/b14-13+
InChIKeyJNFMMSZQZSHNIV-BUHFOSPRSA-N
MW218.30 g/mol
LogP2.12
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-phenylmethanimine

(2,6-dimethylmorpholin-4-yl)-phenylmethanimine (PubChem CID 57253014) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-phenylmethanimine.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-phenylmethanimine
PubChem CID57253014
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2,6-dimethylmorpholin-4-yl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)N1CC(C)OC(C)C1
InChIInChI=1S/C13H18N2O/c1-10-8-15(9-11(2)16-10)13(14)12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3/b14-13+
InChIKeyJNFMMSZQZSHNIV-BUHFOSPRSA-N
XLogP2.12
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-phenylmethanimine?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-phenylmethanimine (CID 57253014) is (2,6-dimethylmorpholin-4-yl)-phenylmethanimine.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-phenylmethanimine?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-phenylmethanimine is [H]/N=C(\c1ccccc1)N1CC(C)OC(C)C1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-phenylmethanimine?
The InChIKey is JNFMMSZQZSHNIV-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-8-15(9-11(2)16-10)13(14)12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3/b14-13+.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-phenylmethanimine?
(2,6-dimethylmorpholin-4-yl)-phenylmethanimine has a molecular weight of 218.30 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-phenylmethanimine is sourced from PubChem (CID 57253014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).