(3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium

C11H16Cl2NO2+ — CID 7827915

IUPAC(3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium
SMILESCOc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](C)O
InChIInChI=1S/C11H15Cl2NO2/c1-7(15)5-14-6-8-3-9(12)4-10(13)11(8)16-2/h3-4,7,14-15H,5-6H2,1-2H3/p+1/t7-/m1/s1
InChIKeyFPLOUGVBUWZASJ-SSDOTTSWSA-O
MW265.16 g/mol
LogP1.45
Rot. Bonds5

About (3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium

(3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium (PubChem CID 7827915) has the molecular formula C11H16Cl2NO2+ and a molecular weight of 265.16 g/mol. Its IUPAC name is (3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name(3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium
PubChem CID7827915
Molecular FormulaC11H16Cl2NO2+
Molecular Weight265.16 g/mol
Exact Mass264.06
IUPAC Name(3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium
SMILESCOc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](C)O
InChIInChI=1S/C11H15Cl2NO2/c1-7(15)5-14-6-8-3-9(12)4-10(13)11(8)16-2/h3-4,7,14-15H,5-6H2,1-2H3/p+1/t7-/m1/s1
InChIKeyFPLOUGVBUWZASJ-SSDOTTSWSA-O
XLogP1.45
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 122036939
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CID 117358952

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium?
The IUPAC name of (3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium (CID 7827915) is (3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium.
What is the SMILES notation for (3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium?
The canonical SMILES for (3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium is COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](C)O.
What is the InChIKey of (3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium?
The InChIKey is FPLOUGVBUWZASJ-SSDOTTSWSA-O. The full InChI is InChI=1S/C11H15Cl2NO2/c1-7(15)5-14-6-8-3-9(12)4-10(13)11(8)16-2/h3-4,7,14-15H,5-6H2,1-2H3/p+1/t7-/m1/s1.
What are the key properties of (3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium?
(3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium has a molecular weight of 265.16 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium is sourced from PubChem (CID 7827915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).