3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine

C23H19F6NO2 — CID 59192639

IUPAC3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine
SMILESNCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H19F6NO2/c24-22(25,26)31-19-10-4-8-17(12-19)21(15-30,14-16-6-2-1-3-7-16)18-9-5-11-20(13-18)32-23(27,28)29/h1-13H,14-15,30H2
InChIKeyHHXYIQJXNATWQJ-UHFFFAOYSA-N
MW455.40 g/mol
LogP5.97
Rot. Bonds7

About 3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine

3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 59192639) has the molecular formula C23H19F6NO2 and a molecular weight of 455.40 g/mol. Its IUPAC name is 3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID59192639
Molecular FormulaC23H19F6NO2
Molecular Weight455.40 g/mol
Exact Mass455.13
IUPAC Name3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine
SMILESNCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H19F6NO2/c24-22(25,26)31-19-10-4-8-17(12-19)21(15-30,14-16-6-2-1-3-7-16)18-9-5-11-20(13-18)32-23(27,28)29/h1-13H,14-15,30H2
InChIKeyHHXYIQJXNATWQJ-UHFFFAOYSA-N
XLogP5.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.40
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]aniline
CID 59192957
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]butan-1-amine
CID 123725264
3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 24956819
2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;5-bromo-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrimidin-2-amine;deuterio(fluoro)methane
CID 161394743
3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192939
2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192724
5-amino-1,1,1-trifluoro-4,4-bis[3-(trifluoromethoxy)phenyl]pentan-2-ol
CID 87142058
(2S)-5-amino-1,1,1-trifluoro-4,4-bis[3-(trifluoromethoxy)phenyl]pentan-2-ol
CID 86639121
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 89265915
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine
CID 59192681
3-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]butanamide
CID 59192657
but-3-enyl N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]carbamate
CID 59192919

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine (CID 59192639) is 3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine is NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is HHXYIQJXNATWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6NO2/c24-22(25,26)31-19-10-4-8-17(12-19)21(15-30,14-16-6-2-1-3-7-16)18-9-5-11-20(13-18)32-23(27,28)29/h1-13H,14-15,30H2.
What are the key properties of 3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine?
3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 455.40 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 59192639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).