(2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride

C19H21ClF2N2O2 — CID 119315582

IUPAC(2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)N1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H20F2N2O2.ClH/c20-15-7-6-14(11-16(15)21)18-12-23(8-9-25-18)19(24)17(22)10-13-4-2-1-3-5-13;/h1-7,11,17-18H,8-10,12,22H2;1H/t17-,18?;/m0./s1
InChIKeyPXYVAQIPYWRPON-OQICONIUSA-N
MW382.84 g/mol
LogP2.86
Rot. Bonds4

About (2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride

(2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 119315582) has the molecular formula C19H21ClF2N2O2 and a molecular weight of 382.84 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
PubChem CID119315582
Molecular FormulaC19H21ClF2N2O2
Molecular Weight382.84 g/mol
Exact Mass382.13
IUPAC Name(2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)N1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H20F2N2O2.ClH/c20-15-7-6-14(11-16(15)21)18-12-23(8-9-25-18)19(24)17(22)10-13-4-2-1-3-5-13;/h1-7,11,17-18H,8-10,12,22H2;1H/t17-,18?;/m0./s1
InChIKeyPXYVAQIPYWRPON-OQICONIUSA-N
XLogP2.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122065502
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668195
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668196
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772
benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate
CID 157499451
(2R)-2-amino-1-[(2R)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-3-phenylpropan-1-one
CID 125152052
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
CID 84588635
2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 22610288
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride (CID 119315582) is (2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)N1CCOC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of (2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride?
The InChIKey is PXYVAQIPYWRPON-OQICONIUSA-N. The full InChI is InChI=1S/C19H20F2N2O2.ClH/c20-15-7-6-14(11-16(15)21)18-12-23(8-9-25-18)19(24)17(22)10-13-4-2-1-3-5-13;/h1-7,11,17-18H,8-10,12,22H2;1H/t17-,18?;/m0./s1.
What are the key properties of (2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride?
(2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 382.84 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119315582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).