3-[1-(2-methylmorpholin-4-yl)ethyl]aniline

C13H20N2O — CID 61262196

IUPAC3-[1-(2-methylmorpholin-4-yl)ethyl]aniline
SMILESCC1CN(C(C)c2cccc(N)c2)CCO1
InChIInChI=1S/C13H20N2O/c1-10-9-15(6-7-16-10)11(2)12-4-3-5-13(14)8-12/h3-5,8,10-11H,6-7,9,14H2,1-2H3
InChIKeyWQSHQYYYYAXGRT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.05
Rot. Bonds2

About 3-[1-(2-methylmorpholin-4-yl)ethyl]aniline

3-[1-(2-methylmorpholin-4-yl)ethyl]aniline (PubChem CID 61262196) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[1-(2-methylmorpholin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(2-methylmorpholin-4-yl)ethyl]aniline
PubChem CID61262196
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[1-(2-methylmorpholin-4-yl)ethyl]aniline
SMILESCC1CN(C(C)c2cccc(N)c2)CCO1
InChIInChI=1S/C13H20N2O/c1-10-9-15(6-7-16-10)11(2)12-4-3-5-13(14)8-12/h3-5,8,10-11H,6-7,9,14H2,1-2H3
InChIKeyWQSHQYYYYAXGRT-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.05
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-[1-(2-methylmorpholin-4-yl)ethyl]aniline?
The IUPAC name of 3-[1-(2-methylmorpholin-4-yl)ethyl]aniline (CID 61262196) is 3-[1-(2-methylmorpholin-4-yl)ethyl]aniline.
What is the SMILES notation for 3-[1-(2-methylmorpholin-4-yl)ethyl]aniline?
The canonical SMILES for 3-[1-(2-methylmorpholin-4-yl)ethyl]aniline is CC1CN(C(C)c2cccc(N)c2)CCO1.
What is the InChIKey of 3-[1-(2-methylmorpholin-4-yl)ethyl]aniline?
The InChIKey is WQSHQYYYYAXGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-9-15(6-7-16-10)11(2)12-4-3-5-13(14)8-12/h3-5,8,10-11H,6-7,9,14H2,1-2H3.
What are the key properties of 3-[1-(2-methylmorpholin-4-yl)ethyl]aniline?
3-[1-(2-methylmorpholin-4-yl)ethyl]aniline has a molecular weight of 220.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylmorpholin-4-yl)ethyl]aniline is sourced from PubChem (CID 61262196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).