(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol

C17H19ClFNO2 — CID 51996946

IUPAC(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1ccccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C17H19ClFNO2/c1-12(21)9-20-10-13-4-2-3-5-17(13)22-11-14-6-7-15(19)8-16(14)18/h2-8,12,20-21H,9-11H2,1H3/t12-/m1/s1
InChIKeyJXNOSFCZORALTE-GFCCVEGCSA-N
MW323.80 g/mol
LogP3.53
Rot. Bonds7

About (2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol

(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol (PubChem CID 51996946) has the molecular formula C17H19ClFNO2 and a molecular weight of 323.80 g/mol. Its IUPAC name is (2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
PubChem CID51996946
Molecular FormulaC17H19ClFNO2
Molecular Weight323.80 g/mol
Exact Mass323.11
IUPAC Name(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1ccccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C17H19ClFNO2/c1-12(21)9-20-10-13-4-2-3-5-17(13)22-11-14-6-7-15(19)8-16(14)18/h2-8,12,20-21H,9-11H2,1H3/t12-/m1/s1
InChIKeyJXNOSFCZORALTE-GFCCVEGCSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol with MolForge

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Related Compounds

1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol
CID 66531708
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 51435290
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996850
(1S)-2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 29187906
(2R)-1-[[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 51996982
4-[(2-chloro-4-fluorophenyl)methylamino]butan-2-ol
CID 64913736
N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450280
N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 106861648
(2R)-1-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51987173
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 66531659
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol (CID 51996946) is (2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol is C[C@@H](O)CNCc1ccccc1OCc1ccc(F)cc1Cl.
What is the InChIKey of (2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The InChIKey is JXNOSFCZORALTE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19ClFNO2/c1-12(21)9-20-10-13-4-2-3-5-17(13)22-11-14-6-7-15(19)8-16(14)18/h2-8,12,20-21H,9-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol has a molecular weight of 323.80 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 51996946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).