4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline

C14H22N2O2 — CID 83002865

IUPAC4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCOCC2C)ccc1N
InChIInChI=1S/C14H22N2O2/c1-10(2)18-14-8-12(4-5-13(14)15)16-6-7-17-9-11(16)3/h4-5,8,10-11H,6-7,9,15H2,1-3H3
InChIKeyVUOOJKNERFFIKF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.28
Rot. Bonds3

About 4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline

4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline (PubChem CID 83002865) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline
PubChem CID83002865
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCOCC2C)ccc1N
InChIInChI=1S/C14H22N2O2/c1-10(2)18-14-8-12(4-5-13(14)15)16-6-7-17-9-11(16)3/h4-5,8,10-11H,6-7,9,15H2,1-3H3
InChIKeyVUOOJKNERFFIKF-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline (CID 83002865) is 4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline is CC(C)Oc1cc(N2CCOCC2C)ccc1N.
What is the InChIKey of 4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline?
The InChIKey is VUOOJKNERFFIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)18-14-8-12(4-5-13(14)15)16-6-7-17-9-11(16)3/h4-5,8,10-11H,6-7,9,15H2,1-3H3.
What are the key properties of 4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline?
4-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline 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-(3-methylmorpholin-4-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83002865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).