1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine

C12H17F2N — CID 84723521

IUPAC1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccccc1CC(F)F
InChIInChI=1S/C12H17F2N/c1-9(15-2)7-10-5-3-4-6-11(10)8-12(13)14/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyXWVJYRYAZPCCLF-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.64
Rot. Bonds5

About 1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine

1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine (PubChem CID 84723521) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
PubChem CID84723521
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccccc1CC(F)F
InChIInChI=1S/C12H17F2N/c1-9(15-2)7-10-5-3-4-6-11(10)8-12(13)14/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyXWVJYRYAZPCCLF-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84726410
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
1-[2-(difluoromethylsulfonyl)phenyl]-N-methylpropan-2-amine
CID 55219614
2-methyl-6-[2-(methylamino)propyl]phenol
CID 14265623
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707
N-methyl-1-phenylpropan-2-amine
CID 118309477
1-(2-ethylsulfonylphenyl)-N-methylpropan-2-amine
CID 63199723
2-methoxy-6-[2-(methylamino)propyl]phenol
CID 68884486
1-[2-(2,2-difluoroethyl)phenyl]ethanamine
CID 84660069
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
N-methyl-1-(2-propylsulfonylphenyl)propan-2-amine
CID 63199727

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine?
The IUPAC name of 1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine (CID 84723521) is 1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine is CNC(C)Cc1ccccc1CC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine?
The InChIKey is XWVJYRYAZPCCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-9(15-2)7-10-5-3-4-6-11(10)8-12(13)14/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of 1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine?
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine is sourced from PubChem (CID 84723521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).