(1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine

C18H21F2NO2 — CID 130242446

IUPAC(1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine
SMILESC[C@H](COCc1ccccc1)OC[C@@H](N)c1ccc(F)cc1F
InChIInChI=1S/C18H21F2NO2/c1-13(10-22-11-14-5-3-2-4-6-14)23-12-18(21)16-8-7-15(19)9-17(16)20/h2-9,13,18H,10-12,21H2,1H3/t13-,18-/m1/s1
InChIKeyACZOVIYZJPWMQH-FZKQIMNGSA-N
MW321.37 g/mol
LogP3.59
Rot. Bonds8

About (1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine

(1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine (PubChem CID 130242446) has the molecular formula C18H21F2NO2 and a molecular weight of 321.37 g/mol. Its IUPAC name is (1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine.

Molecular Properties

Compound Name(1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine
PubChem CID130242446
Molecular FormulaC18H21F2NO2
Molecular Weight321.37 g/mol
Exact Mass321.15
IUPAC Name(1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine
SMILESC[C@H](COCc1ccccc1)OC[C@@H](N)c1ccc(F)cc1F
InChIInChI=1S/C18H21F2NO2/c1-13(10-22-11-14-5-3-2-4-6-14)23-12-18(21)16-8-7-15(19)9-17(16)20/h2-9,13,18H,10-12,21H2,1H3/t13-,18-/m1/s1
InChIKeyACZOVIYZJPWMQH-FZKQIMNGSA-N
XLogP3.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16783272
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908
(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 39927724
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine
CID 107523625
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 107524051
1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 107523679
(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane
CID 90410381
1-(2-bromo-4-fluorophenyl)-2-propan-2-yloxyethanamine
CID 105013400
benzyl 2-(2,4-difluorophenyl)-2-formamidoacetate
CID 144949509
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine?
The IUPAC name of (1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine (CID 130242446) is (1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine.
What is the SMILES notation for (1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine?
The canonical SMILES for (1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine is C[C@H](COCc1ccccc1)OC[C@@H](N)c1ccc(F)cc1F.
What is the InChIKey of (1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine?
The InChIKey is ACZOVIYZJPWMQH-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H21F2NO2/c1-13(10-22-11-14-5-3-2-4-6-14)23-12-18(21)16-8-7-15(19)9-17(16)20/h2-9,13,18H,10-12,21H2,1H3/t13-,18-/m1/s1.
What are the key properties of (1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine?
(1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine has a molecular weight of 321.37 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine is sourced from PubChem (CID 130242446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).