(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol

C17H17Cl3FNO2 — CID 2090777

IUPAC(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
SMILESCN(Cc1c(F)cccc1Cl)C[C@H](O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl3FNO2/c1-22(9-12-13(18)4-3-7-16(12)21)8-11(23)10-24-17-14(19)5-2-6-15(17)20/h2-7,11,23H,8-10H2,1H3/t11-/m0/s1
InChIKeyORKBEDJZPIFANR-NSHDSACASA-N
MW392.69 g/mol
LogP4.66
Rot. Bonds7

About (2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol

(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol (PubChem CID 2090777) has the molecular formula C17H17Cl3FNO2 and a molecular weight of 392.69 g/mol. Its IUPAC name is (2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
PubChem CID2090777
Molecular FormulaC17H17Cl3FNO2
Molecular Weight392.69 g/mol
Exact Mass391.03
IUPAC Name(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
SMILESCN(Cc1c(F)cccc1Cl)C[C@H](O)COc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl3FNO2/c1-22(9-12-13(18)4-3-7-16(12)21)8-11(23)10-24-17-14(19)5-2-6-15(17)20/h2-7,11,23H,8-10H2,1H3/t11-/m0/s1
InChIKeyORKBEDJZPIFANR-NSHDSACASA-N
XLogP4.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.69
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol with MolForge

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 18224684
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 62333927
N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide
CID 55680016
1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol
CID 111336261
(2-chloro-6-fluorophenyl)methyl-[(2S)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylazanium
CID 2090776
1-(1,3-benzodioxol-5-ylmethoxy)-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 51160302
1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107927
1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014776
1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol
CID 55104112
1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol
CID 78832763
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol (CID 2090777) is (2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol is CN(Cc1c(F)cccc1Cl)C[C@H](O)COc1c(Cl)cccc1Cl.
What is the InChIKey of (2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol?
The InChIKey is ORKBEDJZPIFANR-NSHDSACASA-N. The full InChI is InChI=1S/C17H17Cl3FNO2/c1-22(9-12-13(18)4-3-7-16(12)21)8-11(23)10-24-17-14(19)5-2-6-15(17)20/h2-7,11,23H,8-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol?
(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol has a molecular weight of 392.69 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol is sourced from PubChem (CID 2090777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).