2-(2-morpholin-4-ylethoxy)aniline

C12H18N2O2 — CID 6484712

IUPAC2-(2-morpholin-4-ylethoxy)aniline
SMILESNc1ccccc1OCCN1CCOCC1
InChIInChI=1S/C12H18N2O2/c13-11-3-1-2-4-12(11)16-10-7-14-5-8-15-9-6-14/h1-4H,5-10,13H2
InChIKeyNJDILKXBXBBAKF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.98
Rot. Bonds4

About 2-(2-morpholin-4-ylethoxy)aniline

2-(2-morpholin-4-ylethoxy)aniline (PubChem CID 6484712) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethoxy)aniline.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethoxy)aniline
PubChem CID6484712
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2-morpholin-4-ylethoxy)aniline
SMILESNc1ccccc1OCCN1CCOCC1
InChIInChI=1S/C12H18N2O2/c13-11-3-1-2-4-12(11)16-10-7-14-5-8-15-9-6-14/h1-4H,5-10,13H2
InChIKeyNJDILKXBXBBAKF-UHFFFAOYSA-N
XLogP0.98
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.98
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 2-(2-morpholin-4-ylethoxy)aniline?
The IUPAC name of 2-(2-morpholin-4-ylethoxy)aniline (CID 6484712) is 2-(2-morpholin-4-ylethoxy)aniline.
What is the SMILES notation for 2-(2-morpholin-4-ylethoxy)aniline?
The canonical SMILES for 2-(2-morpholin-4-ylethoxy)aniline is Nc1ccccc1OCCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethoxy)aniline?
The InChIKey is NJDILKXBXBBAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-11-3-1-2-4-12(11)16-10-7-14-5-8-15-9-6-14/h1-4H,5-10,13H2.
What are the key properties of 2-(2-morpholin-4-ylethoxy)aniline?
2-(2-morpholin-4-ylethoxy)aniline has a molecular weight of 222.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethoxy)aniline is sourced from PubChem (CID 6484712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).