(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine

C16H16F3NO — CID 28661843

IUPAC(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine
SMILESC[C@H](NCc1ccccc1OC(F)F)c1cccc(F)c1
InChIInChI=1S/C16H16F3NO/c1-11(12-6-4-7-14(17)9-12)20-10-13-5-2-3-8-15(13)21-16(18)19/h2-9,11,16,20H,10H2,1H3/t11-/m0/s1
InChIKeyIMEJVTIZQJJOTJ-NSHDSACASA-N
MW295.30 g/mol
LogP4.28
Rot. Bonds6

About (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine

(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 28661843) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID28661843
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine
SMILESC[C@H](NCc1ccccc1OC(F)F)c1cccc(F)c1
InChIInChI=1S/C16H16F3NO/c1-11(12-6-4-7-14(17)9-12)20-10-13-5-2-3-8-15(13)21-16(18)19/h2-9,11,16,20H,10H2,1H3/t11-/m0/s1
InChIKeyIMEJVTIZQJJOTJ-NSHDSACASA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29281708
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
CID 28661741
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182657
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365032
(1S)-1-(3-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81362672
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,3-diol
CID 43205914
2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 103258765
2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol
CID 103940654
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43406776

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine (CID 28661843) is (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine is C[C@H](NCc1ccccc1OC(F)F)c1cccc(F)c1.
What is the InChIKey of (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is IMEJVTIZQJJOTJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11(12-6-4-7-14(17)9-12)20-10-13-5-2-3-8-15(13)21-16(18)19/h2-9,11,16,20H,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine?
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 28661843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).