2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride

C18H27ClN2O2 — CID 154914015

IUPAC2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride
SMILESCC(C)[C@H]1CN(C(=O)CNC2CC2)C[C@@H](c2ccccc2)O1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13(2)16-11-20(18(21)10-19-15-8-9-15)12-17(22-16)14-6-4-3-5-7-14;/h3-7,13,15-17,19H,8-12H2,1-2H3;1H/t16-,17+;/m1./s1
InChIKeyWOXOTFYXJPSXCJ-PPPUBMIESA-N
MW338.88 g/mol
LogP2.78
Rot. Bonds5

About 2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride

2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride (PubChem CID 154914015) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride
PubChem CID154914015
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride
SMILESCC(C)[C@H]1CN(C(=O)CNC2CC2)C[C@@H](c2ccccc2)O1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13(2)16-11-20(18(21)10-19-15-8-9-15)12-17(22-16)14-6-4-3-5-7-14;/h3-7,13,15-17,19H,8-12H2,1-2H3;1H/t16-,17+;/m1./s1
InChIKeyWOXOTFYXJPSXCJ-PPPUBMIESA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride (CID 154914015) is 2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride is CC(C)[C@H]1CN(C(=O)CNC2CC2)C[C@@H](c2ccccc2)O1.Cl.
What is the InChIKey of 2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride?
The InChIKey is WOXOTFYXJPSXCJ-PPPUBMIESA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-13(2)16-11-20(18(21)10-19-15-8-9-15)12-17(22-16)14-6-4-3-5-7-14;/h3-7,13,15-17,19H,8-12H2,1-2H3;1H/t16-,17+;/m1./s1.
What are the key properties of 2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride?
2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride is sourced from PubChem (CID 154914015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).