3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine

C21H17F2N — CID 143497249

IUPAC3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine
SMILESC=C(N)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H17F2N/c1-15(24)21(16-5-3-2-4-6-16,17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h2-14H,1,24H2
InChIKeyYMUCXGQAARILNI-UHFFFAOYSA-N
MW321.37 g/mol
LogP4.77
Rot. Bonds4

About 3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine

3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine (PubChem CID 143497249) has the molecular formula C21H17F2N and a molecular weight of 321.37 g/mol. Its IUPAC name is 3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine.

Molecular Properties

Compound Name3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine
PubChem CID143497249
Molecular FormulaC21H17F2N
Molecular Weight321.37 g/mol
Exact Mass321.13
IUPAC Name3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine
SMILESC=C(N)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H17F2N/c1-15(24)21(16-5-3-2-4-6-16,17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h2-14H,1,24H2
InChIKeyYMUCXGQAARILNI-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Ethylamine, 2,2,2-triphenyl-, hydrochloride
CID 3033278
[1-[4-(3,5-Difluorophenyl)phenyl]cyclohexyl]methanamine
CID 68673528
1-[1-(3,4-Difluorophenyl)cyclohexyl]methanamine
CID 58954819
2,2,2-Triphenylethylamine
CID 45406
Triphenylethyleneamine
CID 23327732
3,3-Bis(4-fluorophenyl)-2-phenylpropan-1-amine
CID 18676211
4,4-Bis(4-fluorophenyl)-5-methylhexane-1,5-diamine
CID 20502290
(4-Fluorophenyl)-diphenylmethanamine
CID 22660836
(2-Fluorophenyl)-diphenylmethanamine
CID 22660856
Diphenyl-[2-(trifluoromethyl)phenyl]methanamine
CID 23522888
2,2-Bis(4-fluorophenyl)-5-methylhexane-1,5-diamine
CID 57012501
8,8-Bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine
CID 57235740

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine?
The IUPAC name of 3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine (CID 143497249) is 3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine.
What is the SMILES notation for 3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine?
The canonical SMILES for 3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine is C=C(N)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine?
The InChIKey is YMUCXGQAARILNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N/c1-15(24)21(16-5-3-2-4-6-16,17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h2-14H,1,24H2.
What are the key properties of 3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine?
3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine has a molecular weight of 321.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-fluorophenyl)-3-phenylprop-1-en-2-amine is sourced from PubChem (CID 143497249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).