2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone

C18H21FN2O — CID 110825230

IUPAC2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone
SMILESCN(C)C(CNCC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O/c1-21(2)17(14-8-10-16(19)11-9-14)12-20-13-18(22)15-6-4-3-5-7-15/h3-11,17,20H,12-13H2,1-2H3
InChIKeyJBZFJFBFOZCYBC-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.90
Rot. Bonds7

About 2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone

2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone (PubChem CID 110825230) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone
PubChem CID110825230
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone
SMILESCN(C)C(CNCC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O/c1-21(2)17(14-8-10-16(19)11-9-14)12-20-13-18(22)15-6-4-3-5-7-15/h3-11,17,20H,12-13H2,1-2H3
InChIKeyJBZFJFBFOZCYBC-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 82258238
2-[[2-(dimethylamino)-2-phenylethyl]amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829028
3-[2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
CID 110828929
2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830523
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 110830006
N-(4-acetylphenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
CID 2108162
4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
N-(2-benzoyl-4-chlorophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]acetamide
CID 2101756
1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone
CID 110827671
5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one
CID 116910606

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone?
The IUPAC name of 2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone (CID 110825230) is 2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone?
The canonical SMILES for 2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone is CN(C)C(CNCC(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone?
The InChIKey is JBZFJFBFOZCYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-21(2)17(14-8-10-16(19)11-9-14)12-20-13-18(22)15-6-4-3-5-7-15/h3-11,17,20H,12-13H2,1-2H3.
What are the key properties of 2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone?
2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone has a molecular weight of 300.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone is sourced from PubChem (CID 110825230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).