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

C21H27FN2O — CID 110830523

IUPAC2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCCN(CC)C(CNCC(=O)c1ccc(C)c(F)c1)c1ccccc1
InChIInChI=1S/C21H27FN2O/c1-4-24(5-2)20(17-9-7-6-8-10-17)14-23-15-21(25)18-12-11-16(3)19(22)13-18/h6-13,20,23H,4-5,14-15H2,1-3H3
InChIKeyIGFYJQRAJMEVTI-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.99
Rot. Bonds9

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

2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone (PubChem CID 110830523) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone
PubChem CID110830523
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCCN(CC)C(CNCC(=O)c1ccc(C)c(F)c1)c1ccccc1
InChIInChI=1S/C21H27FN2O/c1-4-24(5-2)20(17-9-7-6-8-10-17)14-23-15-21(25)18-12-11-16(3)19(22)13-18/h6-13,20,23H,4-5,14-15H2,1-3H3
InChIKeyIGFYJQRAJMEVTI-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(diethylamino)-2-thiophen-2-ylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830545
1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110830524
2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829029
N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18167164
1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone
CID 110826095
2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone
CID 110825230
1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone
CID 107129792
4-[[2-(diethylamino)-2-phenylethyl]amino]butanoic acid
CID 43377950
3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 16777891
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone (CID 110830523) is 2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone is CCN(CC)C(CNCC(=O)c1ccc(C)c(F)c1)c1ccccc1.
What is the InChIKey of 2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone?
The InChIKey is IGFYJQRAJMEVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-4-24(5-2)20(17-9-7-6-8-10-17)14-23-15-21(25)18-12-11-16(3)19(22)13-18/h6-13,20,23H,4-5,14-15H2,1-3H3.
What are the key properties of 2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone?
2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone has a molecular weight of 342.46 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 110830523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).