(1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol

C22H21ClFNO2 — CID 51993379

IUPAC(1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
SMILESO[C@H](CNCc1cccc(OCc2c(F)cccc2Cl)c1)c1ccccc1
InChIInChI=1S/C22H21ClFNO2/c23-20-10-5-11-21(24)19(20)15-27-18-9-4-6-16(12-18)13-25-14-22(26)17-7-2-1-3-8-17/h1-12,22,25-26H,13-15H2/t22-/m1/s1
InChIKeyKIDSLQWCLZLMEW-JOCHJYFZSA-N
MW385.87 g/mol
LogP4.88
Rot. Bonds8

About (1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol

(1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol (PubChem CID 51993379) has the molecular formula C22H21ClFNO2 and a molecular weight of 385.87 g/mol. Its IUPAC name is (1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
PubChem CID51993379
Molecular FormulaC22H21ClFNO2
Molecular Weight385.87 g/mol
Exact Mass385.12
IUPAC Name(1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
SMILESO[C@H](CNCc1cccc(OCc2c(F)cccc2Cl)c1)c1ccccc1
InChIInChI=1S/C22H21ClFNO2/c23-20-10-5-11-21(24)19(20)15-27-18-9-4-6-16(12-18)13-25-14-22(26)17-7-2-1-3-8-17/h1-12,22,25-26H,13-15H2/t22-/m1/s1
InChIKeyKIDSLQWCLZLMEW-JOCHJYFZSA-N
XLogP4.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol with MolForge

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Related Compounds

1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510
(1S)-2-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993453
(1R)-2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989026
(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 124700879
2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055126
(1S)-2-[[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 51988676
(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
CID 29222092
(2S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993357
(1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989098
(1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51994921
(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine
CID 66510475
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The IUPAC name of (1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol (CID 51993379) is (1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The canonical SMILES for (1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol is O[C@H](CNCc1cccc(OCc2c(F)cccc2Cl)c1)c1ccccc1.
What is the InChIKey of (1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The InChIKey is KIDSLQWCLZLMEW-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21ClFNO2/c23-20-10-5-11-21(24)19(20)15-27-18-9-4-6-16(12-18)13-25-14-22(26)17-7-2-1-3-8-17/h1-12,22,25-26H,13-15H2/t22-/m1/s1.
What are the key properties of (1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
(1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol has a molecular weight of 385.87 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol is sourced from PubChem (CID 51993379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).