1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine

C17H19F2N — CID 114870966

IUPAC1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCC(NCCc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C17H19F2N/c1-2-17(14-4-3-5-16(19)12-14)20-11-10-13-6-8-15(18)9-7-13/h3-9,12,17,20H,2,10-11H2,1H3
InChIKeyLRRYPDWUSHJIEO-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.25
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine

1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 114870966) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID114870966
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCC(NCCc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C17H19F2N/c1-2-17(14-4-3-5-16(19)12-14)20-11-10-13-6-8-15(18)9-7-13/h3-9,12,17,20H,2,10-11H2,1H3
InChIKeyLRRYPDWUSHJIEO-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129
(2R)-2-(3-fluorophenyl)-2-(2-phenylethylamino)ethanol
CID 124885583
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678
N-[2-(3-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43565900
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 102612414
1-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 102612965
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 28970329
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871438

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine (CID 114870966) is 1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine is CCC(NCCc1ccc(F)cc1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is LRRYPDWUSHJIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-2-17(14-4-3-5-16(19)12-14)20-11-10-13-6-8-15(18)9-7-13/h3-9,12,17,20H,2,10-11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine?
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 114870966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).