2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride

C16H25ClN2O2 — CID 119335324

IUPAC2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CC(C)OCC1c1ccccc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-7-14(17)16(19)18-10-12(2)20-11-15(18)13-8-5-4-6-9-13;/h4-6,8-9,12,14-15H,3,7,10-11,17H2,1-2H3;1H
InChIKeyBXQJLRANVMQEQN-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.52
Rot. Bonds4

About 2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride

2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride (PubChem CID 119335324) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride
PubChem CID119335324
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CC(C)OCC1c1ccccc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-7-14(17)16(19)18-10-12(2)20-11-15(18)13-8-5-4-6-9-13;/h4-6,8-9,12,14-15H,3,7,10-11,17H2,1-2H3;1H
InChIKeyBXQJLRANVMQEQN-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one
CID 124890111
2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-one
CID 43650344
(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone
CID 154879876
2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone
CID 124686301
2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 111540812
(2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61155949
4-(3-fluoroprop-1-en-2-yl)-2-methyl-5-phenylmorpholine
CID 142383852
1-(2-methyl-5-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119804151
2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 60852760
1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone
CID 124882003
(3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone
CID 124572458
2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 71993114

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride (CID 119335324) is 2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride is CCCC(N)C(=O)N1CC(C)OCC1c1ccccc1.Cl.
What is the InChIKey of 2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride?
The InChIKey is BXQJLRANVMQEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-3-7-14(17)16(19)18-10-12(2)20-11-15(18)13-8-5-4-6-9-13;/h4-6,8-9,12,14-15H,3,7,10-11,17H2,1-2H3;1H.
What are the key properties of 2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride?
2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 119335324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).