(1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol

C22H21ClFNO2 — CID 51989098

IUPAC(1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
SMILESO[C@H](CNCc1ccc(OCc2ccc(F)cc2Cl)cc1)c1ccccc1
InChIInChI=1S/C22H21ClFNO2/c23-21-12-19(24)9-8-18(21)15-27-20-10-6-16(7-11-20)13-25-14-22(26)17-4-2-1-3-5-17/h1-12,22,25-26H,13-15H2/t22-/m1/s1
InChIKeyYYRFMRHOPXRASV-JOCHJYFZSA-N
MW385.87 g/mol
LogP4.88
Rot. Bonds8

About (1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol

(1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol (PubChem CID 51989098) has the molecular formula C22H21ClFNO2 and a molecular weight of 385.87 g/mol. Its IUPAC name is (1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
PubChem CID51989098
Molecular FormulaC22H21ClFNO2
Molecular Weight385.87 g/mol
Exact Mass385.12
IUPAC Name(1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
SMILESO[C@H](CNCc1ccc(OCc2ccc(F)cc2Cl)cc1)c1ccccc1
InChIInChI=1S/C22H21ClFNO2/c23-21-12-19(24)9-8-18(21)15-27-20-10-6-16(7-11-20)13-25-14-22(26)17-4-2-1-3-5-17/h1-12,22,25-26H,13-15H2/t22-/m1/s1
InChIKeyYYRFMRHOPXRASV-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-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol with MolForge

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Related Compounds

(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996850
2-[(2-chloro-4-fluorophenyl)methylamino]-1-phenylethanol
CID 43393572
(1R)-2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989026
(1S)-2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 29187906
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385678
2-[[6-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 66536557
2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6461573
(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 27153591
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 124700879
(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
CID 8621628

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The IUPAC name of (1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol (CID 51989098) is (1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The canonical SMILES for (1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol is O[C@H](CNCc1ccc(OCc2ccc(F)cc2Cl)cc1)c1ccccc1.
What is the InChIKey of (1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The InChIKey is YYRFMRHOPXRASV-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21ClFNO2/c23-21-12-19(24)9-8-18(21)15-27-20-10-6-16(7-11-20)13-25-14-22(26)17-4-2-1-3-5-17/h1-12,22,25-26H,13-15H2/t22-/m1/s1.
What are the key properties of (1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
(1S)-2-[[4-[(2-chloro-4-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-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol is sourced from PubChem (CID 51989098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).