3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine

C16H16F3N — CID 69396432

IUPAC3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine
SMILESCNC(c1ccccc1)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H16F3N/c1-20-15(13-10-6-3-7-11-13)14(16(17,18)19)12-8-4-2-5-9-12/h2-11,14-15,20H,1H3
InChIKeyWXZLTMCBYCYCFL-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.29
Rot. Bonds4

About 3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine

3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine (PubChem CID 69396432) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine
PubChem CID69396432
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine
SMILESCNC(c1ccccc1)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H16F3N/c1-20-15(13-10-6-3-7-11-13)14(16(17,18)19)12-8-4-2-5-9-12/h2-11,14-15,20H,1H3
InChIKeyWXZLTMCBYCYCFL-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
methyl 2-amino-4,4,4-trifluoro-3-phenylbutanoate
CID 68725831
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol
CID 68863509
[(1S,2R)-3,3,3-trifluoro-1,2-diphenylpropyl] acetate
CID 164670469
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
(1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
CID 11448338
2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine
CID 43481495
[3,3,3-trifluoro-1-phenyl-2-(trifluoromethyl)propyl]hydrazine
CID 103312705
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
cyclodecapentaenyl(methylamino)methanol
CID 129203731
N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 139189977

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine (CID 69396432) is 3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine is CNC(c1ccccc1)C(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine?
The InChIKey is WXZLTMCBYCYCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-20-15(13-10-6-3-7-11-13)14(16(17,18)19)12-8-4-2-5-9-12/h2-11,14-15,20H,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine?
3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine is sourced from PubChem (CID 69396432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).