3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine

C24H25F2N — CID 20642678

IUPAC3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
SMILESCCC(NCCC(c1cccc(F)c1)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C24H25F2N/c1-2-24(18-8-4-3-5-9-18)27-15-14-23(19-10-6-12-21(25)16-19)20-11-7-13-22(26)17-20/h3-13,16-17,23-24,27H,2,14-15H2,1H3
InChIKeyAYPTUHQTYCLEBA-UHFFFAOYSA-N
MW365.47 g/mol
LogP6.23
Rot. Bonds8

About 3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine

3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine (PubChem CID 20642678) has the molecular formula C24H25F2N and a molecular weight of 365.47 g/mol. Its IUPAC name is 3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine.

Molecular Properties

Compound Name3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
PubChem CID20642678
Molecular FormulaC24H25F2N
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
SMILESCCC(NCCC(c1cccc(F)c1)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C24H25F2N/c1-2-24(18-8-4-3-5-9-18)27-15-14-23(19-10-6-12-21(25)16-19)20-11-7-13-22(26)17-20/h3-13,16-17,23-24,27H,2,14-15H2,1H3
InChIKeyAYPTUHQTYCLEBA-UHFFFAOYSA-N
XLogP6.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871459
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
N'-(1-phenylpropyl)-N-propylethane-1,2-diamine
CID 54810053
1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 114871000
1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 102612940
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81369195

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine?
The IUPAC name of 3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine (CID 20642678) is 3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine.
What is the SMILES notation for 3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine?
The canonical SMILES for 3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine is CCC(NCCC(c1cccc(F)c1)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of 3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine?
The InChIKey is AYPTUHQTYCLEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N/c1-2-24(18-8-4-3-5-9-18)27-15-14-23(19-10-6-12-21(25)16-19)20-11-7-13-22(26)17-20/h3-13,16-17,23-24,27H,2,14-15H2,1H3.
What are the key properties of 3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine?
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine has a molecular weight of 365.47 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine is sourced from PubChem (CID 20642678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).