2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine

C17H18F3N — CID 116789196

IUPAC2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine
SMILESCc1cc(CNCC(F)(F)c2ccccc2)cc(C)c1F
InChIInChI=1S/C17H18F3N/c1-12-8-14(9-13(2)16(12)18)10-21-11-17(19,20)15-6-4-3-5-7-15/h3-9,21H,10-11H2,1-2H3
InChIKeyUWBVRFSIPXPGMS-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.32
Rot. Bonds5

About 2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine

2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine (PubChem CID 116789196) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine
PubChem CID116789196
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine
SMILESCc1cc(CNCC(F)(F)c2ccccc2)cc(C)c1F
InChIInChI=1S/C17H18F3N/c1-12-8-14(9-13(2)16(12)18)10-21-11-17(19,20)15-6-4-3-5-7-15/h3-9,21H,10-11H2,1-2H3
InChIKeyUWBVRFSIPXPGMS-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(chloromethyl)phenyl]methyl]-2,2-difluoro-2-phenylethanamine
CID 116790548
2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 116788992
3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 81411774
2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol
CID 114332065
N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 116789040
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 42776865
N-(2,2-difluoro-2-phenylethyl)-2,3,4,5,6-pentafluoroaniline
CID 162537681
3,3,3-trifluoro-2-[[(4-fluoro-3,5-dimethylphenyl)methylamino]methyl]propanoic acid
CID 103258518
2,2,2-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62120717
N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
CID 116789342
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
CID 116788792
1-[[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169385923

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine?
The IUPAC name of 2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine (CID 116789196) is 2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine?
The canonical SMILES for 2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine is Cc1cc(CNCC(F)(F)c2ccccc2)cc(C)c1F.
What is the InChIKey of 2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine?
The InChIKey is UWBVRFSIPXPGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-12-8-14(9-13(2)16(12)18)10-21-11-17(19,20)15-6-4-3-5-7-15/h3-9,21H,10-11H2,1-2H3.
What are the key properties of 2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine?
2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine has a molecular weight of 293.33 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 116789196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).