N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine

C17H17F2N — CID 115328275

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
SMILESC=C(CNCCc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C17H17F2N/c1-13(15-5-3-2-4-6-15)12-20-8-7-14-9-16(18)11-17(19)10-14/h2-6,9-11,20H,1,7-8,12H2
InChIKeyZDLJNOXCJUPLHX-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.81
Rot. Bonds6

About N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine

N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine (PubChem CID 115328275) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
PubChem CID115328275
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
SMILESC=C(CNCCc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C17H17F2N/c1-13(15-5-3-2-4-6-15)12-20-8-7-14-9-16(18)11-17(19)10-14/h2-6,9-11,20H,1,7-8,12H2
InChIKeyZDLJNOXCJUPLHX-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328049
1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62603873
N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 116789040
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
6-(2-phenylprop-2-enylamino)hexan-1-ol
CID 107851678
2-[2-(3,5-difluorophenyl)ethylamino]ethanol
CID 62603879
1,3-difluoro-5-(2-phenylethyl)benzene
CID 90780533
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
N-(2-phenylprop-2-enyl)pent-4-yn-1-amine
CID 106221350
2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 62316053
N-(2-phenylprop-2-enyl)hex-5-yn-1-amine
CID 106211574
N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine
CID 113288145

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine (CID 115328275) is N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine is C=C(CNCCc1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine?
The InChIKey is ZDLJNOXCJUPLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-13(15-5-3-2-4-6-15)12-20-8-7-14-9-16(18)11-17(19)10-14/h2-6,9-11,20H,1,7-8,12H2.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine?
N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine has a molecular weight of 273.33 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2-phenylprop-2-en-1-amine is sourced from PubChem (CID 115328275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).