(2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine

C14H20N2O — CID 142041187

IUPAC(2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine
SMILESC=C([C@@H](N)Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H20N2O/c1-12(16-7-9-17-10-8-16)14(15)11-13-5-3-2-4-6-13/h2-6,14H,1,7-11,15H2/t14-/m0/s1
InChIKeyWEXPOAKDRAOGPA-AWEZNQCLSA-N
MW232.33 g/mol
LogP1.40
Rot. Bonds4

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

(2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine (PubChem CID 142041187) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine.

Molecular Properties

Compound Name(2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine
PubChem CID142041187
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine
SMILESC=C([C@@H](N)Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H20N2O/c1-12(16-7-9-17-10-8-16)14(15)11-13-5-3-2-4-6-13/h2-6,14H,1,7-11,15H2/t14-/m0/s1
InChIKeyWEXPOAKDRAOGPA-AWEZNQCLSA-N
XLogP1.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine?
The IUPAC name of (2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine (CID 142041187) is (2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine.
What is the SMILES notation for (2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine?
The canonical SMILES for (2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine is C=C([C@@H](N)Cc1ccccc1)N1CCOCC1.
What is the InChIKey of (2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine?
The InChIKey is WEXPOAKDRAOGPA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(16-7-9-17-10-8-16)14(15)11-13-5-3-2-4-6-13/h2-6,14H,1,7-11,15H2/t14-/m0/s1.
What are the key properties of (2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine?
(2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine has a molecular weight of 232.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-morpholin-4-yl-1-phenylbut-3-en-2-amine is sourced from PubChem (CID 142041187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).