2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone

C19H20F2N2O2 — CID 120668196

IUPAC2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CCOC(c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C19H20F2N2O2/c1-12-2-4-13(5-3-12)18(22)19(24)23-8-9-25-17(11-23)14-6-7-15(20)16(21)10-14/h2-7,10,17-18H,8-9,11,22H2,1H3
InChIKeyXYCYXDHNRPLOMZ-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.87
Rot. Bonds3

About 2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone

2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone (PubChem CID 120668196) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
PubChem CID120668196
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CCOC(c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C19H20F2N2O2/c1-12-2-4-13(5-3-12)18(22)19(24)23-8-9-25-17(11-23)14-6-7-15(20)16(21)10-14/h2-7,10,17-18H,8-9,11,22H2,1H3
InChIKeyXYCYXDHNRPLOMZ-UHFFFAOYSA-N
XLogP2.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668195
2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668188
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668206
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120667995
2-amino-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668203
3-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122065502
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568
2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 120668000
(2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
CID 119315582
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
(2S)-2-amino-1-[(2R)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-3,3-dimethylbutan-1-one
CID 99849922

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone (CID 120668196) is 2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(C(N)C(=O)N2CCOC(c3ccc(F)c(F)c3)C2)cc1.
What is the InChIKey of 2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is XYCYXDHNRPLOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12-2-4-13(5-3-12)18(22)19(24)23-8-9-25-17(11-23)14-6-7-15(20)16(21)10-14/h2-7,10,17-18H,8-9,11,22H2,1H3.
What are the key properties of 2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 346.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 120668196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).