(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine

C16H16ClF2N — CID 81377416

IUPAC(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C16H16ClF2N/c1-10(12-6-3-4-7-13(12)17)20-11(2)16-14(18)8-5-9-15(16)19/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeyKSWSMNNWUIRXRX-VUWPPUDQSA-N
MW295.76 g/mol
LogP5.03
Rot. Bonds4

About (1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine

(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine (PubChem CID 81377416) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
PubChem CID81377416
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C16H16ClF2N/c1-10(12-6-3-4-7-13(12)17)20-11(2)16-14(18)8-5-9-15(16)19/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeyKSWSMNNWUIRXRX-VUWPPUDQSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.76
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627
1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81375595
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
CID 43111468
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 81377556
1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767368
(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81375605
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 115707420
[(2-chlorophenyl)-(2,6-difluorophenyl)methyl]hydrazine
CID 105210999

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine (CID 81377416) is (1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine is CC(N[C@@H](C)c1ccccc1Cl)c1c(F)cccc1F.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine?
The InChIKey is KSWSMNNWUIRXRX-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10(12-6-3-4-7-13(12)17)20-11(2)16-14(18)8-5-9-15(16)19/h3-11,20H,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine?
(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine has a molecular weight of 295.76 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 81377416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).