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

C17H20FN — CID 55078796

IUPACN-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1ccccc1F
InChIInChI=1S/C17H20FN/c1-3-12-19-13(2)14-8-4-5-9-15(14)16-10-6-7-11-17(16)18/h4-11,13,19H,3,12H2,1-2H3
InChIKeyBJECHHSRISXNFO-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.55
Rot. Bonds5

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

N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine (PubChem CID 55078796) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
PubChem CID55078796
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1ccccc1F
InChIInChI=1S/C17H20FN/c1-3-12-19-13(2)14-8-4-5-9-15(14)16-10-6-7-11-17(16)18/h4-11,13,19H,3,12H2,1-2H3
InChIKeyBJECHHSRISXNFO-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine
CID 115502854
N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63423907
N-[1-[2-(2-chloro-4,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 107476928
N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504412
N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
CID 63424587
N-[1-(2-pyridin-2-ylphenyl)ethyl]propan-1-amine
CID 63679644
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine
CID 115503189
3-fluoro-5-[2-[1-(propylamino)ethyl]phenyl]benzonitrile
CID 66423884
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine
CID 116545311

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine (CID 55078796) is N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1-c1ccccc1F.
What is the InChIKey of N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is BJECHHSRISXNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-12-19-13(2)14-8-4-5-9-15(14)16-10-6-7-11-17(16)18/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 55078796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).