[(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium

C17H19Cl3NO2+ — CID 2520203

IUPAC[(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
SMILESC[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C17H18Cl3NO2/c1-11(12-3-2-4-13(18)7-12)21-9-15(22)10-23-17-8-14(19)5-6-16(17)20/h2-8,11,15,21-22H,9-10H2,1H3/p+1/t11-,15-/m1/s1
InChIKeyUGEMZLZPQSSQAS-IAQYHMDHSA-O
MW375.70 g/mol
LogP3.71
Rot. Bonds7

About [(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium

[(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium (PubChem CID 2520203) has the molecular formula C17H19Cl3NO2+ and a molecular weight of 375.70 g/mol. Its IUPAC name is [(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
PubChem CID2520203
Molecular FormulaC17H19Cl3NO2+
Molecular Weight375.70 g/mol
Exact Mass374.05
IUPAC Name[(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
SMILESC[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C17H18Cl3NO2/c1-11(12-3-2-4-13(18)7-12)21-9-15(22)10-23-17-8-14(19)5-6-16(17)20/h2-8,11,15,21-22H,9-10H2,1H3/p+1/t11-,15-/m1/s1
InChIKeyUGEMZLZPQSSQAS-IAQYHMDHSA-O
XLogP3.71
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.70
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium with MolForge

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Related Compounds

(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(1S)-1-phenylethyl]azanium
CID 6988816
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109
[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium
CID 7733701
[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-methylsulfamic acid
CID 2832246
[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-[(2R)-1-hydroxybutan-2-yl]azanium
CID 2141739
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 3542105
(2S)-1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 2114447
1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 82939369
1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
CID 60635678
1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 106190688

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium?
The IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium (CID 2520203) is [(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium.
What is the SMILES notation for [(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium?
The canonical SMILES for [(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium is C[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)c1cccc(Cl)c1.
What is the InChIKey of [(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium?
The InChIKey is UGEMZLZPQSSQAS-IAQYHMDHSA-O. The full InChI is InChI=1S/C17H18Cl3NO2/c1-11(12-3-2-4-13(18)7-12)21-9-15(22)10-23-17-8-14(19)5-6-16(17)20/h2-8,11,15,21-22H,9-10H2,1H3/p+1/t11-,15-/m1/s1.
What are the key properties of [(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium?
[(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium has a molecular weight of 375.70 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-chlorophenyl)ethyl]-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium is sourced from PubChem (CID 2520203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).