2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline

C15H23ClN2O — CID 55089362

IUPAC2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline
SMILESCCC1COC(C)CN1CCNc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-3-13-11-19-12(2)10-18(13)9-8-17-15-7-5-4-6-14(15)16/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyBRKXPIGHKBCDAE-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.25
Rot. Bonds5

About 2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline

2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline (PubChem CID 55089362) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline
PubChem CID55089362
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline
SMILESCCC1COC(C)CN1CCNc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-3-13-11-19-12(2)10-18(13)9-8-17-15-7-5-4-6-14(15)16/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyBRKXPIGHKBCDAE-UHFFFAOYSA-N
XLogP3.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline (CID 55089362) is 2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline is CCC1COC(C)CN1CCNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline?
The InChIKey is BRKXPIGHKBCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-13-11-19-12(2)10-18(13)9-8-17-15-7-5-4-6-14(15)16/h4-7,12-13,17H,3,8-11H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline?
2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline has a molecular weight of 282.81 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline is sourced from PubChem (CID 55089362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).