2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one

C13H18FNO — CID 84688472

IUPAC2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one
SMILESCC(N)C(=O)c1ccccc1CC(C)(C)F
InChIInChI=1S/C13H18FNO/c1-9(15)12(16)11-7-5-4-6-10(11)8-13(2,3)14/h4-7,9H,8,15H2,1-3H3
InChIKeyQDVQGLRGQFSRQW-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.51
Rot. Bonds4

About 2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one

2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one (PubChem CID 84688472) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one
PubChem CID84688472
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one
SMILESCC(N)C(=O)c1ccccc1CC(C)(C)F
InChIInChI=1S/C13H18FNO/c1-9(15)12(16)11-7-5-4-6-10(11)8-13(2,3)14/h4-7,9H,8,15H2,1-3H3
InChIKeyQDVQGLRGQFSRQW-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-ethyl-2-hydroxyphenyl)propan-1-one
CID 84664766
2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 157105936
1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone
CID 117320150
2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid
CID 117350993
2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one
CID 84668702
(2S)-2-amino-1-(2-sulfanylphenyl)propan-1-one
CID 91120134
2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one
CID 84666194
[2-(2-fluoro-2-methylpropyl)phenyl]methanamine
CID 84658124
2-(2-amino-2-methylpropyl)benzoic acid
CID 175240257
2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol
CID 117286474
2-amino-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-one
CID 84694342
2-(2-aminopropylsulfanylmethyl)benzamide
CID 66218202

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one?
The IUPAC name of 2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one (CID 84688472) is 2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one is CC(N)C(=O)c1ccccc1CC(C)(C)F.
What is the InChIKey of 2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one?
The InChIKey is QDVQGLRGQFSRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(15)12(16)11-7-5-4-6-10(11)8-13(2,3)14/h4-7,9H,8,15H2,1-3H3.
What are the key properties of 2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one?
2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one has a molecular weight of 223.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one is sourced from PubChem (CID 84688472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).