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

C17H18F3N — CID 114871218

IUPACN-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NC(C)c1ccc(F)cc1F)c1cccc(F)c1
InChIInChI=1S/C17H18F3N/c1-3-17(12-5-4-6-13(18)9-12)21-11(2)15-8-7-14(19)10-16(15)20/h4-11,17,21H,3H2,1-2H3
InChIKeyMHMZBQCLCPPXJE-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.91
Rot. Bonds5

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

N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114871218) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
PubChem CID114871218
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NC(C)c1ccc(F)cc1F)c1cccc(F)c1
InChIInChI=1S/C17H18F3N/c1-3-17(12-5-4-6-13(18)9-12)21-11(2)15-8-7-14(19)10-16(15)20/h4-11,17,21H,3H2,1-2H3
InChIKeyMHMZBQCLCPPXJE-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 43680852
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114986430
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 81364729
1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
CID 115641478
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82963187
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine (CID 114871218) is N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine is CCC(NC(C)c1ccc(F)cc1F)c1cccc(F)c1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is MHMZBQCLCPPXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-3-17(12-5-4-6-13(18)9-12)21-11(2)15-8-7-14(19)10-16(15)20/h4-11,17,21H,3H2,1-2H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine?
N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 293.33 g/mol, XLogP of 4.91, 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-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114871218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).