N-ethyl-4-morpholin-4-ylaniline

C12H18N2O — CID 15764276

IUPACN-ethyl-4-morpholin-4-ylaniline
SMILESCCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H18N2O/c1-2-13-11-3-5-12(6-4-11)14-7-9-15-10-8-14/h3-6,13H,2,7-10H2,1H3
InChIKeyBJEWSJOAAMEMSP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.96
Rot. Bonds3

About N-ethyl-4-morpholin-4-ylaniline

N-ethyl-4-morpholin-4-ylaniline (PubChem CID 15764276) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-ethyl-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-ethyl-4-morpholin-4-ylaniline
PubChem CID15764276
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-ethyl-4-morpholin-4-ylaniline
SMILESCCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H18N2O/c1-2-13-11-3-5-12(6-4-11)14-7-9-15-10-8-14/h3-6,13H,2,7-10H2,1H3
InChIKeyBJEWSJOAAMEMSP-UHFFFAOYSA-N
XLogP1.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-morpholin-4-ylaniline?
The IUPAC name of N-ethyl-4-morpholin-4-ylaniline (CID 15764276) is N-ethyl-4-morpholin-4-ylaniline.
What is the SMILES notation for N-ethyl-4-morpholin-4-ylaniline?
The canonical SMILES for N-ethyl-4-morpholin-4-ylaniline is CCNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-ethyl-4-morpholin-4-ylaniline?
The InChIKey is BJEWSJOAAMEMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-13-11-3-5-12(6-4-11)14-7-9-15-10-8-14/h3-6,13H,2,7-10H2,1H3.
What are the key properties of N-ethyl-4-morpholin-4-ylaniline?
N-ethyl-4-morpholin-4-ylaniline has a molecular weight of 206.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-morpholin-4-ylaniline is sourced from PubChem (CID 15764276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).