3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one

C18H20FNO — CID 63193607

IUPAC3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one
SMILESCN(CC(C)(C)C(=O)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H20FNO/c1-18(2,17(21)14-8-5-4-6-9-14)13-20(3)16-11-7-10-15(19)12-16/h4-12H,13H2,1-3H3
InChIKeyGFKNXNKMHCQCSZ-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.17
Rot. Bonds5

About 3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one

3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one (PubChem CID 63193607) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one
PubChem CID63193607
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one
SMILESCN(CC(C)(C)C(=O)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H20FNO/c1-18(2,17(21)14-8-5-4-6-9-14)13-20(3)16-11-7-10-15(19)12-16/h4-12H,13H2,1-3H3
InChIKeyGFKNXNKMHCQCSZ-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
CID 63195859
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069
3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193414
1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487752
2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol
CID 64790753
2,2-dimethyl-3-(N-methylanilino)propanoyl chloride
CID 82041011
2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259102
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
4-[(3-fluoro-N-methylanilino)methyl]-3-methylbenzoic acid
CID 114485468
1-(3-fluoro-N-methylanilino)butan-2-one
CID 62038249
2-(N-ethyl-3-fluoroanilino)-2-methylpropanoic acid
CID 114999043
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one?
The IUPAC name of 3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one (CID 63193607) is 3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one is CN(CC(C)(C)C(=O)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one?
The InChIKey is GFKNXNKMHCQCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-18(2,17(21)14-8-5-4-6-9-14)13-20(3)16-11-7-10-15(19)12-16/h4-12H,13H2,1-3H3.
What are the key properties of 3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one?
3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one has a molecular weight of 285.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one is sourced from PubChem (CID 63193607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).