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

C15H24N2O — CID 95291809

IUPAC(1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine
SMILESCC[C@H](NC[C@H]1CN(C)CCO1)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-15(13-7-5-4-6-8-13)16-11-14-12-17(2)9-10-18-14/h4-8,14-16H,3,9-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyZPCYUQCSVNTKTK-GJZGRUSLSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds5

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

(1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine (PubChem CID 95291809) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine
PubChem CID95291809
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine
SMILESCC[C@H](NC[C@H]1CN(C)CCO1)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-15(13-7-5-4-6-8-13)16-11-14-12-17(2)9-10-18-14/h4-8,14-16H,3,9-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyZPCYUQCSVNTKTK-GJZGRUSLSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine?
The IUPAC name of (1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine (CID 95291809) is (1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for (1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine?
The canonical SMILES for (1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine is CC[C@H](NC[C@H]1CN(C)CCO1)c1ccccc1.
What is the InChIKey of (1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine?
The InChIKey is ZPCYUQCSVNTKTK-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-15(13-7-5-4-6-8-13)16-11-14-12-17(2)9-10-18-14/h4-8,14-16H,3,9-12H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine?
(1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 95291809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).