2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine

C15H23ClN2O — CID 81166311

IUPAC2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
SMILESCC1CN(c2ccc(CCN)cc2Cl)CC(C)(C)O1
InChIInChI=1S/C15H23ClN2O/c1-11-9-18(10-15(2,3)19-11)14-5-4-12(6-7-17)8-13(14)16/h4-5,8,11H,6-7,9-10,17H2,1-3H3
InChIKeyXDJVCOJABUXLNS-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.84
Rot. Bonds3

About 2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine

2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine (PubChem CID 81166311) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is 2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
PubChem CID81166311
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
SMILESCC1CN(c2ccc(CCN)cc2Cl)CC(C)(C)O1
InChIInChI=1S/C15H23ClN2O/c1-11-9-18(10-15(2,3)19-11)14-5-4-12(6-7-17)8-13(14)16/h4-5,8,11H,6-7,9-10,17H2,1-3H3
InChIKeyXDJVCOJABUXLNS-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine (CID 81166311) is 2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine is CC1CN(c2ccc(CCN)cc2Cl)CC(C)(C)O1.
What is the InChIKey of 2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine?
The InChIKey is XDJVCOJABUXLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11-9-18(10-15(2,3)19-11)14-5-4-12(6-7-17)8-13(14)16/h4-5,8,11H,6-7,9-10,17H2,1-3H3.
What are the key properties of 2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine?
2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine has a molecular weight of 282.82 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 81166311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).