2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine

C15H24N2O — CID 104959118

IUPAC2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine
SMILESC[C@@H]1CN(Cc2ccc(CCN)cc2)C[C@H](C)O1
InChIInChI=1S/C15H24N2O/c1-12-9-17(10-13(2)18-12)11-15-5-3-14(4-6-15)7-8-16/h3-6,12-13H,7-11,16H2,1-2H3/t12-,13+
InChIKeyARVYZCOKQBNFQM-BETUJISGSA-N
MW248.37 g/mol
LogP1.80
Rot. Bonds4

About 2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine

2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine (PubChem CID 104959118) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine
PubChem CID104959118
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine
SMILESC[C@@H]1CN(Cc2ccc(CCN)cc2)C[C@H](C)O1
InChIInChI=1S/C15H24N2O/c1-12-9-17(10-13(2)18-12)11-15-5-3-14(4-6-15)7-8-16/h3-6,12-13H,7-11,16H2,1-2H3/t12-,13+
InChIKeyARVYZCOKQBNFQM-BETUJISGSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]propanoic acid
CID 84758638
2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
CID 71941842
4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarbothioamide
CID 24703494
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine
CID 104960940
4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 24700962
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]propan-1-amine
CID 104960962
[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]methanamine
CID 107555516
(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
4-[[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methylamino]methyl]benzonitrile
CID 94193660
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707
4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936655

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine (CID 104959118) is 2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine is C[C@@H]1CN(Cc2ccc(CCN)cc2)C[C@H](C)O1.
What is the InChIKey of 2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine?
The InChIKey is ARVYZCOKQBNFQM-BETUJISGSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-9-17(10-13(2)18-12)11-15-5-3-14(4-6-15)7-8-16/h3-6,12-13H,7-11,16H2,1-2H3/t12-,13+.
What are the key properties of 2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine?
2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine is sourced from PubChem (CID 104959118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).