3-morpholin-4-ylaniline

C10H14N2O — CID 847768

IUPAC3-morpholin-4-ylaniline
SMILESNc1cccc(N2CCOCC2)c1
InChIInChI=1S/C10H14N2O/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7,11H2
InChIKeyZJWLMZURLIHVHE-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.11
Rot. Bonds1

About 3-morpholin-4-ylaniline

3-morpholin-4-ylaniline (PubChem CID 847768) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-morpholin-4-ylaniline.

Molecular Properties

Compound Name3-morpholin-4-ylaniline
PubChem CID847768
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-morpholin-4-ylaniline
SMILESNc1cccc(N2CCOCC2)c1
InChIInChI=1S/C10H14N2O/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7,11H2
InChIKeyZJWLMZURLIHVHE-UHFFFAOYSA-N
XLogP1.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylaniline?
The IUPAC name of 3-morpholin-4-ylaniline (CID 847768) is 3-morpholin-4-ylaniline.
What is the SMILES notation for 3-morpholin-4-ylaniline?
The canonical SMILES for 3-morpholin-4-ylaniline is Nc1cccc(N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylaniline?
The InChIKey is ZJWLMZURLIHVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7,11H2.
What are the key properties of 3-morpholin-4-ylaniline?
3-morpholin-4-ylaniline has a molecular weight of 178.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylaniline is sourced from PubChem (CID 847768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).