(1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine

C13H20N2O2 — CID 113388930

IUPAC(1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine
SMILESCOc1cccc(N2CCOCC2)c1[C@H](C)N
InChIInChI=1S/C13H20N2O2/c1-10(14)13-11(4-3-5-12(13)16-2)15-6-8-17-9-7-15/h3-5,10H,6-9,14H2,1-2H3/t10-/m0/s1
InChIKeyUNSWSJKCJGNANV-JTQLQIEISA-N
MW236.31 g/mol
LogP1.55
Rot. Bonds3

About (1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine

(1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine (PubChem CID 113388930) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine
PubChem CID113388930
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine
SMILESCOc1cccc(N2CCOCC2)c1[C@H](C)N
InChIInChI=1S/C13H20N2O2/c1-10(14)13-11(4-3-5-12(13)16-2)15-6-8-17-9-7-15/h3-5,10H,6-9,14H2,1-2H3/t10-/m0/s1
InChIKeyUNSWSJKCJGNANV-JTQLQIEISA-N
XLogP1.55
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine?
The IUPAC name of (1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine (CID 113388930) is (1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine is COc1cccc(N2CCOCC2)c1[C@H](C)N.
What is the InChIKey of (1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine?
The InChIKey is UNSWSJKCJGNANV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(14)13-11(4-3-5-12(13)16-2)15-6-8-17-9-7-15/h3-5,10H,6-9,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine?
(1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxy-6-morpholin-4-ylphenyl)ethanamine is sourced from PubChem (CID 113388930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).