N-ethyl-3-morpholin-4-ylaniline

C12H18N2O — CID 22605665

IUPACN-ethyl-3-morpholin-4-ylaniline
SMILESCCNc1cccc(N2CCOCC2)c1
InChIInChI=1S/C12H18N2O/c1-2-13-11-4-3-5-12(10-11)14-6-8-15-9-7-14/h3-5,10,13H,2,6-9H2,1H3
InChIKeyJCCHFZMPNHFFDI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.96
Rot. Bonds3

About N-ethyl-3-morpholin-4-ylaniline

N-ethyl-3-morpholin-4-ylaniline (PubChem CID 22605665) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-ethyl-3-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-ethyl-3-morpholin-4-ylaniline
PubChem CID22605665
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-ethyl-3-morpholin-4-ylaniline
SMILESCCNc1cccc(N2CCOCC2)c1
InChIInChI=1S/C12H18N2O/c1-2-13-11-4-3-5-12(10-11)14-6-8-15-9-7-14/h3-5,10,13H,2,6-9H2,1H3
InChIKeyJCCHFZMPNHFFDI-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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-morpholin-4-ylaniline?
The IUPAC name of N-ethyl-3-morpholin-4-ylaniline (CID 22605665) is N-ethyl-3-morpholin-4-ylaniline.
What is the SMILES notation for N-ethyl-3-morpholin-4-ylaniline?
The canonical SMILES for N-ethyl-3-morpholin-4-ylaniline is CCNc1cccc(N2CCOCC2)c1.
What is the InChIKey of N-ethyl-3-morpholin-4-ylaniline?
The InChIKey is JCCHFZMPNHFFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-13-11-4-3-5-12(10-11)14-6-8-15-9-7-14/h3-5,10,13H,2,6-9H2,1H3.
What are the key properties of N-ethyl-3-morpholin-4-ylaniline?
N-ethyl-3-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-3-morpholin-4-ylaniline is sourced from PubChem (CID 22605665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).