N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine

C17H18F3N — CID 61066311

IUPACN-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)c1c(F)cccc1F
InChIInChI=1S/C17H18F3N/c1-2-10-21-16(11-12-6-3-4-7-13(12)18)17-14(19)8-5-9-15(17)20/h3-9,16,21H,2,10-11H2,1H3
InChIKeyYAJDANVYQVDVNP-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.39
Rot. Bonds6

About N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine

N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 61066311) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
PubChem CID61066311
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)c1c(F)cccc1F
InChIInChI=1S/C17H18F3N/c1-2-10-21-16(11-12-6-3-4-7-13(12)18)17-14(19)8-5-9-15(17)20/h3-9,16,21H,2,10-11H2,1H3
InChIKeyYAJDANVYQVDVNP-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 79517746
N-[2-(2-fluorophenyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 61064181
N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43494023
N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 63528602
N-[2-(5-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522487
N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63526394
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 66466100
N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine
CID 103374768
N-[1-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43497800
N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754896
1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine
CID 79522889

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine (CID 61066311) is N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1F)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is YAJDANVYQVDVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-2-10-21-16(11-12-6-3-4-7-13(12)18)17-14(19)8-5-9-15(17)20/h3-9,16,21H,2,10-11H2,1H3.
What are the key properties of N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine?
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 293.33 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 61066311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).