N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine

C17H19F2N — CID 43680852

IUPACN-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(NC(C)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H19F2N/c1-3-17(13-7-5-4-6-8-13)20-12(2)15-10-9-14(18)11-16(15)19/h4-12,17,20H,3H2,1-2H3
InChIKeyMBIGUZKTKMCWNJ-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.77
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine

N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine (PubChem CID 43680852) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
PubChem CID43680852
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(NC(C)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H19F2N/c1-3-17(13-7-5-4-6-8-13)20-12(2)15-10-9-14(18)11-16(15)19/h4-12,17,20H,3H2,1-2H3
InChIKeyMBIGUZKTKMCWNJ-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871218
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
5-fluoro-2-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]phenol
CID 63182312
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
CID 115641478
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81389010
1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81380496
N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine (CID 43680852) is N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine is CCC(NC(C)c1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine?
The InChIKey is MBIGUZKTKMCWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-3-17(13-7-5-4-6-8-13)20-12(2)15-10-9-14(18)11-16(15)19/h4-12,17,20H,3H2,1-2H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine?
N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 43680852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).