(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine

C16H17F2N — CID 78956119

IUPAC(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
SMILESCC(N[C@H](C)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N/c1-11(13-6-4-3-5-7-13)19-12(2)15-9-8-14(17)10-16(15)18/h3-12,19H,1-2H3/t11-,12?/m1/s1
InChIKeyGFTGZPXEQXTXDG-JHJMLUEUSA-N
MW261.31 g/mol
LogP4.38
Rot. Bonds4

About (1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine

(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine (PubChem CID 78956119) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is (1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
PubChem CID78956119
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
SMILESCC(N[C@H](C)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N/c1-11(13-6-4-3-5-7-13)19-12(2)15-9-8-14(17)10-16(15)18/h3-12,19H,1-2H3/t11-,12?/m1/s1
InChIKeyGFTGZPXEQXTXDG-JHJMLUEUSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 43680852
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
1-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
CID 81350470
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 82963738
2-[1-[1-(2,4-difluorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710599
cumene;2,4-difluoro-1-propan-2-ylbenzene
CID 156717467

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine (CID 78956119) is (1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine is CC(N[C@H](C)c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of (1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine?
The InChIKey is GFTGZPXEQXTXDG-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11(13-6-4-3-5-7-13)19-12(2)15-9-8-14(17)10-16(15)18/h3-12,19H,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine?
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine has a molecular weight of 261.31 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 78956119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).