1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone

C21H25FN2O2 — CID 110830524

IUPAC1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
SMILESCc1ccc(C(=O)CNCC(c2ccccc2)N2CCOCC2)cc1F
InChIInChI=1S/C21H25FN2O2/c1-16-7-8-18(13-19(16)22)21(25)15-23-14-20(17-5-3-2-4-6-17)24-9-11-26-12-10-24/h2-8,13,20,23H,9-12,14-15H2,1H3
InChIKeyJVZNSNXUDFEBQF-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.98
Rot. Bonds7

About 1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone

1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone (PubChem CID 110830524) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
PubChem CID110830524
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
SMILESCc1ccc(C(=O)CNCC(c2ccccc2)N2CCOCC2)cc1F
InChIInChI=1S/C21H25FN2O2/c1-16-7-8-18(13-19(16)22)21(25)15-23-14-20(17-5-3-2-4-6-17)24-9-11-26-12-10-24/h2-8,13,20,23H,9-12,14-15H2,1H3
InChIKeyJVZNSNXUDFEBQF-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone with MolForge

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone
CID 110825842
1-(3-fluoro-4-methoxyphenyl)-2-[(2-phenyl-2-piperidin-1-ylethyl)amino]ethanone
CID 110825838
2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830523
2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828071
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110827798
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110828347
2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-1-(4-methylphenyl)ethanone
CID 110825984
N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine
CID 78849561
1-(4-methoxyphenyl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110825707
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51175139
N-ethyl-2-morpholin-4-yl-2-phenylethanamine;molecular hydrogen
CID 144767437
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N'-(3-fluoro-4-methylphenyl)oxamide
CID 7192732

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone (CID 110830524) is 1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone is Cc1ccc(C(=O)CNCC(c2ccccc2)N2CCOCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone?
The InChIKey is JVZNSNXUDFEBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-16-7-8-18(13-19(16)22)21(25)15-23-14-20(17-5-3-2-4-6-17)24-9-11-26-12-10-24/h2-8,13,20,23H,9-12,14-15H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone?
1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone has a molecular weight of 356.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone is sourced from PubChem (CID 110830524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).