(2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol

C19H21Cl4NO2 — CID 10113937

IUPAC(2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol
SMILESCC(C)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C19H21Cl4NO2/c1-19(2,9-12-6-7-14(20)16(22)8-12)24-10-13(25)11-26-17-5-3-4-15(21)18(17)23/h3-8,13,24-25H,9-11H2,1-2H3/t13-/m1/s1
InChIKeyRGCHMQWKKUZSIX-CYBMUJFWSA-N
MW437.19 g/mol
LogP5.65
Rot. Bonds8

About (2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol

(2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol (PubChem CID 10113937) has the molecular formula C19H21Cl4NO2 and a molecular weight of 437.19 g/mol. Its IUPAC name is (2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol
PubChem CID10113937
Molecular FormulaC19H21Cl4NO2
Molecular Weight437.19 g/mol
Exact Mass435.03
IUPAC Name(2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol
SMILESCC(C)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C19H21Cl4NO2/c1-19(2,9-12-6-7-14(20)16(22)8-12)24-10-13(25)11-26-17-5-3-4-15(21)18(17)23/h3-8,13,24-25H,9-11H2,1-2H3/t13-/m1/s1
InChIKeyRGCHMQWKKUZSIX-CYBMUJFWSA-N
XLogP5.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.19
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

1-(2-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 22640862
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
4-[4-cyano-3-[(2S)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]benzoic acid
CID 70141068
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 59040452
4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol
CID 21312383
1-(tert-butylamino)-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688883
1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609657
1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol
CID 54084381
1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
1-(2-chloro-3-methylphenoxy)-3-[[4-(6-chloropyridazin-3-yl)oxy-2-methylbutan-2-yl]amino]propan-2-ol
CID 10024779
1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 133298934

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol (CID 10113937) is (2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol is CC(C)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](O)COc1cccc(Cl)c1Cl.
What is the InChIKey of (2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol?
The InChIKey is RGCHMQWKKUZSIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21Cl4NO2/c1-19(2,9-12-6-7-14(20)16(22)8-12)24-10-13(25)11-26-17-5-3-4-15(21)18(17)23/h3-8,13,24-25H,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol?
(2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol has a molecular weight of 437.19 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 10113937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).