1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine

C20H23F6N — CID 142869598

IUPAC1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine
SMILESCCN[C@H](C)c1ccccc1.CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F6.C10H15N/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16;1-3-11-9(2)10-7-5-4-6-8-10/h3-5H,2H2,1H3;4-9,11H,3H2,1-2H3/t;9-/m.1/s1
InChIKeyVJTAHJJVTOELAS-YYVQYPFISA-N
MW391.40 g/mol
LogP6.64
Rot. Bonds4

About 1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine

1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine (PubChem CID 142869598) has the molecular formula C20H23F6N and a molecular weight of 391.40 g/mol. Its IUPAC name is 1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine
PubChem CID142869598
Molecular FormulaC20H23F6N
Molecular Weight391.40 g/mol
Exact Mass391.17
IUPAC Name1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine
SMILESCCN[C@H](C)c1ccccc1.CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F6.C10H15N/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16;1-3-11-9(2)10-7-5-4-6-8-10/h3-5H,2H2,1H3;4-9,11H,3H2,1-2H3/t;9-/m.1/s1
InChIKeyVJTAHJJVTOELAS-YYVQYPFISA-N
XLogP6.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.40
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 89273186
(1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
CID 58900711
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
CID 62731966
ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 155737797
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine
CID 102753616
1-ethyl-3-propyl-5-(trifluoromethyl)benzene
CID 134502293
pentane;1-(2-phenylheptan-3-yloxymethyl)-3,5-bis(trifluoromethyl)benzene
CID 143529326
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2,2-difluoroethanamine
CID 115405734

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine?
The IUPAC name of 1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine (CID 142869598) is 1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine?
The canonical SMILES for 1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine is CCN[C@H](C)c1ccccc1.CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine?
The InChIKey is VJTAHJJVTOELAS-YYVQYPFISA-N. The full InChI is InChI=1S/C10H8F6.C10H15N/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16;1-3-11-9(2)10-7-5-4-6-8-10/h3-5H,2H2,1H3;4-9,11H,3H2,1-2H3/t;9-/m.1/s1.
What are the key properties of 1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine?
1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine has a molecular weight of 391.40 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 142869598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).