1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone

C13H18FNO — CID 117320150

IUPAC1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1CC(C)(C)F
InChIInChI=1S/C13H18FNO/c1-13(2,14)8-10-6-4-5-7-11(10)12(16)9-15-3/h4-7,15H,8-9H2,1-3H3
InChIKeySTLBDCAEGKEKCB-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.38
Rot. Bonds5

About 1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone

1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone (PubChem CID 117320150) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone
PubChem CID117320150
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1CC(C)(C)F
InChIInChI=1S/C13H18FNO/c1-13(2,14)8-10-6-4-5-7-11(10)12(16)9-15-3/h4-7,15H,8-9H2,1-3H3
InChIKeySTLBDCAEGKEKCB-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84657859
2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one
CID 84688472
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
1-[3-chloro-2-(1,1-difluoroethyl)phenyl]-2-(methylamino)ethanone
CID 84706282
2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 117408476
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone
CID 117108291
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone
CID 84688474
2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone
CID 115005818
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone
CID 84788996
[2-(2-fluoro-2-methylpropyl)phenyl]methanamine
CID 84658124
2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid
CID 117350993

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone (CID 117320150) is 1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccccc1CC(C)(C)F.
What is the InChIKey of 1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is STLBDCAEGKEKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(2,14)8-10-6-4-5-7-11(10)12(16)9-15-3/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone?
1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 223.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117320150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).