1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine

C15H24N2O — CID 104959145

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine
SMILESC[C@@H]1CN(CC(N)Cc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C15H24N2O/c1-12-9-17(10-13(2)18-12)11-15(16)8-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11,16H2,1-2H3/t12-,13+,15?
InChIKeyPXBLSFFINGDCEG-NNQSOWQGSA-N
MW248.37 g/mol
LogP1.67
Rot. Bonds4

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine (PubChem CID 104959145) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine
PubChem CID104959145
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine
SMILESC[C@@H]1CN(CC(N)Cc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C15H24N2O/c1-12-9-17(10-13(2)18-12)11-15(16)8-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11,16H2,1-2H3/t12-,13+,15?
InChIKeyPXBLSFFINGDCEG-NNQSOWQGSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Phenylpropyl)morpholine
CID 782728
1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 800645
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
4-(2-Phenylpropyl)morpholine
CID 2845855
(4-Benzylmorpholin-2-yl)methanamine
CID 2776360
2-(Morpholin-4-yl)-1-phenylethan-1-amine
CID 2814462
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
4-(3-Aminopropoxy)-1-benzylpiperidine
CID 18425738
N-[(2-Fluorophenyl)methyl]-4-morpholineethanamine
CID 2772118
4-(2-Phenylethyl)morpholine
CID 411956
2,6-Dimethyl-4-(2-phenylethyl)morpholine
CID 2846152

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine (CID 104959145) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine is C[C@@H]1CN(CC(N)Cc2ccccc2)C[C@H](C)O1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine?
The InChIKey is PXBLSFFINGDCEG-NNQSOWQGSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-9-17(10-13(2)18-12)11-15(16)8-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11,16H2,1-2H3/t12-,13+,15?.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine is sourced from PubChem (CID 104959145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).