(1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine

C15H24N2O — CID 63368851

IUPAC(1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
SMILESCC1CN(c2ccccc2[C@H](C)N)CC(C)(C)O1
InChIInChI=1S/C15H24N2O/c1-11-9-17(10-15(3,4)18-11)14-8-6-5-7-13(14)12(2)16/h5-8,11-12H,9-10,16H2,1-4H3/t11?,12-/m0/s1
InChIKeyZLDUFYGDQBSXBE-KIYNQFGBSA-N
MW248.37 g/mol
LogP2.71
Rot. Bonds2

About (1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine

(1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine (PubChem CID 63368851) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
PubChem CID63368851
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
SMILESCC1CN(c2ccccc2[C@H](C)N)CC(C)(C)O1
InChIInChI=1S/C15H24N2O/c1-11-9-17(10-15(3,4)18-11)14-8-6-5-7-13(14)12(2)16/h5-8,11-12H,9-10,16H2,1-4H3/t11?,12-/m0/s1
InChIKeyZLDUFYGDQBSXBE-KIYNQFGBSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,2-dimethylmorpholin-4-yl)phenyl]ethanamine
CID 43592908
1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 114538247
(1S)-1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 55216576
1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 61224430
1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine
CID 63817747
1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
CID 82970938
2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82979016
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanamine
CID 115560215
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine
CID 63375399
(1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
CID 78940812

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine (CID 63368851) is (1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine is CC1CN(c2ccccc2[C@H](C)N)CC(C)(C)O1.
What is the InChIKey of (1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine?
The InChIKey is ZLDUFYGDQBSXBE-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-9-17(10-15(3,4)18-11)14-8-6-5-7-13(14)12(2)16/h5-8,11-12H,9-10,16H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of (1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine?
(1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 63368851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).