(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine

C13H20N2O — CID 95396414

IUPAC(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
SMILESC[C@H](N)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H20N2O/c1-11(14)13-10-15(7-8-16-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3/t11-,13-/m0/s1
InChIKeyLKKXFOJWYTZUTH-AAEUAGOBSA-N
MW220.32 g/mol
LogP1.23
Rot. Bonds3

About (1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine

(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine (PubChem CID 95396414) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
PubChem CID95396414
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
SMILESC[C@H](N)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H20N2O/c1-11(14)13-10-15(7-8-16-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3/t11-,13-/m0/s1
InChIKeyLKKXFOJWYTZUTH-AAEUAGOBSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491103
1-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490139
1-[4-[(4-bromo-3-chlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 114077089
1-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491183
1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine
CID 81497211
N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide
CID 115314944
CID 89203711
CID 89203711
(R)-[(2R)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997974
(R)-[(2S)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997973
1-[4-[(3-fluoro-4-methylphenyl)methyl]morpholin-2-yl]ethanamine
CID 113284985
1-[4-[(E)-3-phenylprop-2-enyl]morpholin-2-yl]ethanamine
CID 115315662
1-[4-[(5-methylthiophen-2-yl)methyl]morpholin-2-yl]ethanamine
CID 115315061

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine?
The IUPAC name of (1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine (CID 95396414) is (1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine is C[C@H](N)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine?
The InChIKey is LKKXFOJWYTZUTH-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(14)13-10-15(7-8-16-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3/t11-,13-/m0/s1.
What are the key properties of (1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine?
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine is sourced from PubChem (CID 95396414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).