3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine

C21H19F2N — CID 18676211

IUPAC3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine
SMILESNCC(c1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H19F2N/c22-18-10-6-16(7-11-18)21(17-8-12-19(23)13-9-17)20(14-24)15-4-2-1-3-5-15/h1-13,20-21H,14,24H2
InChIKeyAGKSADREUSNMSO-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.84
Rot. Bonds5

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

3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine (PubChem CID 18676211) has the molecular formula C21H19F2N and a molecular weight of 323.39 g/mol. Its IUPAC name is 3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine
PubChem CID18676211
Molecular FormulaC21H19F2N
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine
SMILESNCC(c1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H19F2N/c22-18-10-6-16(7-11-18)21(17-8-12-19(23)13-9-17)20(14-24)15-4-2-1-3-5-15/h1-13,20-21H,14,24H2
InChIKeyAGKSADREUSNMSO-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 9801
CID 9801
CID 77575
CID 77575
CID 643357
CID 643357
CID 79698
CID 79698
CID 57094730
CID 57094730
CID 202041
CID 202041
CID 4653
CID 4653
CID 533928
CID 533928
CID 77960
CID 77960
CID 9860006
CID 9860006
CID 3033278
CID 3033278
CID 44310857
CID 44310857

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine?
The IUPAC name of 3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine (CID 18676211) is 3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine.
What is the SMILES notation for 3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine?
The canonical SMILES for 3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine is NCC(c1ccccc1)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine?
The InChIKey is AGKSADREUSNMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N/c22-18-10-6-16(7-11-18)21(17-8-12-19(23)13-9-17)20(14-24)15-4-2-1-3-5-15/h1-13,20-21H,14,24H2.
What are the key properties of 3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine?
3,3-bis(4-fluorophenyl)-2-phenylpropan-1-amine has a molecular weight of 323.39 g/mol, XLogP of 4.84, 5 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)-2-phenylpropan-1-amine is sourced from PubChem (CID 18676211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).