(2S)-1-morpholin-4-yl-3-phenylpropan-2-amine

C13H20N2O — CID 22689568

IUPAC(2S)-1-morpholin-4-yl-3-phenylpropan-2-amine
SMILESN[C@@H](Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C13H20N2O/c14-13(10-12-4-2-1-3-5-12)11-15-6-8-16-9-7-15/h1-5,13H,6-11,14H2/t13-/m0/s1
InChIKeyBRDHVWUPHKOGER-ZDUSSCGKSA-N
MW220.32 g/mol
LogP0.89
Rot. Bonds4

About (2S)-1-morpholin-4-yl-3-phenylpropan-2-amine

(2S)-1-morpholin-4-yl-3-phenylpropan-2-amine (PubChem CID 22689568) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-3-phenylpropan-2-amine
PubChem CID22689568
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-1-morpholin-4-yl-3-phenylpropan-2-amine
SMILESN[C@@H](Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C13H20N2O/c14-13(10-12-4-2-1-3-5-12)11-15-6-8-16-9-7-15/h1-5,13H,6-11,14H2/t13-/m0/s1
InChIKeyBRDHVWUPHKOGER-ZDUSSCGKSA-N
XLogP0.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-morpholin-4-yl-3-phenylpropan-2-amine (CID 22689568) is (2S)-1-morpholin-4-yl-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-morpholin-4-yl-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-morpholin-4-yl-3-phenylpropan-2-amine is N[C@@H](Cc1ccccc1)CN1CCOCC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-3-phenylpropan-2-amine?
The InChIKey is BRDHVWUPHKOGER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O/c14-13(10-12-4-2-1-3-5-12)11-15-6-8-16-9-7-15/h1-5,13H,6-11,14H2/t13-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-3-phenylpropan-2-amine?
(2S)-1-morpholin-4-yl-3-phenylpropan-2-amine has a molecular weight of 220.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-3-phenylpropan-2-amine is sourced from PubChem (CID 22689568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).