2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine

C17H28N2O — CID 97256924

IUPAC2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine
SMILESC[C@H](NCC(C)(C)c1ccccc1)[C@@H]1CN(C)CCO1
InChIInChI=1S/C17H28N2O/c1-14(16-12-19(4)10-11-20-16)18-13-17(2,3)15-8-6-5-7-9-15/h5-9,14,16,18H,10-13H2,1-4H3/t14-,16-/m0/s1
InChIKeyOZQXLGMWJIBFKY-HOCLYGCPSA-N
MW276.42 g/mol
LogP2.27
Rot. Bonds5

About 2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine

2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine (PubChem CID 97256924) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine
PubChem CID97256924
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine
SMILESC[C@H](NCC(C)(C)c1ccccc1)[C@@H]1CN(C)CCO1
InChIInChI=1S/C17H28N2O/c1-14(16-12-19(4)10-11-20-16)18-13-17(2,3)15-8-6-5-7-9-15/h5-9,14,16,18H,10-13H2,1-4H3/t14-,16-/m0/s1
InChIKeyOZQXLGMWJIBFKY-HOCLYGCPSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine (CID 97256924) is 2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine is C[C@H](NCC(C)(C)c1ccccc1)[C@@H]1CN(C)CCO1.
What is the InChIKey of 2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine?
The InChIKey is OZQXLGMWJIBFKY-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(16-12-19(4)10-11-20-16)18-13-17(2,3)15-8-6-5-7-9-15/h5-9,14,16,18H,10-13H2,1-4H3/t14-,16-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine?
2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 97256924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).