1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine

C17H19F2N — CID 114931797

IUPAC1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine
SMILESCCNC(Cc1ccccc1)Cc1c(F)cccc1F
InChIInChI=1S/C17H19F2N/c1-2-20-14(11-13-7-4-3-5-8-13)12-15-16(18)9-6-10-17(15)19/h3-10,14,20H,2,11-12H2,1H3
InChIKeyZBUBCLCFBQQEAV-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.73
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine

1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine (PubChem CID 114931797) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine
PubChem CID114931797
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine
SMILESCCNC(Cc1ccccc1)Cc1c(F)cccc1F
InChIInChI=1S/C17H19F2N/c1-2-20-14(11-13-7-4-3-5-8-13)12-15-16(18)9-6-10-17(15)19/h3-10,14,20H,2,11-12H2,1H3
InChIKeyZBUBCLCFBQQEAV-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 60818141
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932103
1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 105024336
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 114931955
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 62605093
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 63420097
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63024203
1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 115861194

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine (CID 114931797) is 1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine is CCNC(Cc1ccccc1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine?
The InChIKey is ZBUBCLCFBQQEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-2-20-14(11-13-7-4-3-5-8-13)12-15-16(18)9-6-10-17(15)19/h3-10,14,20H,2,11-12H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine?
1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine has a molecular weight of 275.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine is sourced from PubChem (CID 114931797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).