4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline

C14H22N2O2 — CID 63669826

IUPAC4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline
SMILESCCOc1cc(N2CCOC(C)(C)C2)ccc1N
InChIInChI=1S/C14H22N2O2/c1-4-17-13-9-11(5-6-12(13)15)16-7-8-18-14(2,3)10-16/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyKZIWESXOLUWNQN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.28
Rot. Bonds3

About 4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline

4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline (PubChem CID 63669826) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline
PubChem CID63669826
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline
SMILESCCOc1cc(N2CCOC(C)(C)C2)ccc1N
InChIInChI=1S/C14H22N2O2/c1-4-17-13-9-11(5-6-12(13)15)16-7-8-18-14(2,3)10-16/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyKZIWESXOLUWNQN-UHFFFAOYSA-N
XLogP2.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline (CID 63669826) is 4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline is CCOc1cc(N2CCOC(C)(C)C2)ccc1N.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline?
The InChIKey is KZIWESXOLUWNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-17-13-9-11(5-6-12(13)15)16-7-8-18-14(2,3)10-16/h5-6,9H,4,7-8,10,15H2,1-3H3.
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline?
4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline has a molecular weight of 250.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)-2-ethoxyaniline is sourced from PubChem (CID 63669826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).