1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine

C16H15F4N — CID 62604981

IUPAC1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1cc(F)cc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F4N/c1-10(12-2-3-15(19)16(20)8-12)21-5-4-11-6-13(17)9-14(18)7-11/h2-3,6-10,21H,4-5H2,1H3
InChIKeyXYZVOUWHTHRNGX-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.14
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine

1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine (PubChem CID 62604981) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
PubChem CID62604981
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1cc(F)cc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F4N/c1-10(12-2-3-15(19)16(20)8-12)21-5-4-11-6-13(17)9-14(18)7-11/h2-3,6-10,21H,4-5H2,1H3
InChIKeyXYZVOUWHTHRNGX-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565905
1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine
CID 43178590
1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 63476814
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
N-[1-(3,4-difluorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 113350434
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
1-(3,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238824
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565881
N-[1-(3,4-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103716762
N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62604800

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine (CID 62604981) is 1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine is CC(NCCc1cc(F)cc(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine?
The InChIKey is XYZVOUWHTHRNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-10(12-2-3-15(19)16(20)8-12)21-5-4-11-6-13(17)9-14(18)7-11/h2-3,6-10,21H,4-5H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine?
1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine has a molecular weight of 297.30 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 62604981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).