3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride

C16H25ClN2O2 — CID 154913614

IUPAC3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride
SMILESCC(C)[C@H]1CN(C(=O)CCN)C[C@@H](c2ccccc2)O1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)14-10-18(16(19)8-9-17)11-15(20-14)13-6-4-3-5-7-13;/h3-7,12,14-15H,8-11,17H2,1-2H3;1H/t14-,15+;/m1./s1
InChIKeyCCYGVQBPPNCHBN-LIOBNPLQSA-N
MW312.84 g/mol
LogP2.38
Rot. Bonds4

About 3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride

3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride (PubChem CID 154913614) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride
PubChem CID154913614
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride
SMILESCC(C)[C@H]1CN(C(=O)CCN)C[C@@H](c2ccccc2)O1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)14-10-18(16(19)8-9-17)11-15(20-14)13-6-4-3-5-7-13;/h3-7,12,14-15H,8-11,17H2,1-2H3;1H/t14-,15+;/m1./s1
InChIKeyCCYGVQBPPNCHBN-LIOBNPLQSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride with MolForge

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Related Compounds

2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride
CID 154914015
1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one
CID 155917454
5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one
CID 155911907
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone
CID 155499715
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
(6-amino-3-pyridinyl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134706582
(5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134712918
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134701122
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134704293
(3-fluoro-4-hydroxyphenyl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone;formic acid
CID 155971983
4,6-dimethyl-3-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 134706311
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134696475

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride (CID 154913614) is 3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride is CC(C)[C@H]1CN(C(=O)CCN)C[C@@H](c2ccccc2)O1.Cl.
What is the InChIKey of 3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride?
The InChIKey is CCYGVQBPPNCHBN-LIOBNPLQSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(2)14-10-18(16(19)8-9-17)11-15(20-14)13-6-4-3-5-7-13;/h3-7,12,14-15H,8-11,17H2,1-2H3;1H/t14-,15+;/m1./s1.
What are the key properties of 3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride?
3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 154913614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).