2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol

C11H15Cl2NO3 — CID 962358

IUPAC2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO3/c12-9-2-1-8(10(13)3-9)4-14-11(5-15,6-16)7-17/h1-3,14-17H,4-7H2
InChIKeyQMEMXGDWCRTYKB-UHFFFAOYSA-N
MW280.15 g/mol
LogP0.80
Rot. Bonds6

About 2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol

2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 962358) has the molecular formula C11H15Cl2NO3 and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID962358
Molecular FormulaC11H15Cl2NO3
Molecular Weight280.15 g/mol
Exact Mass279.04
IUPAC Name2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO3/c12-9-2-1-8(10(13)3-9)4-14-11(5-15,6-16)7-17/h1-3,14-17H,4-7H2
InChIKeyQMEMXGDWCRTYKB-UHFFFAOYSA-N
XLogP0.80
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol (CID 962358) is 2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is QMEMXGDWCRTYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3/c12-9-2-1-8(10(13)3-9)4-14-11(5-15,6-16)7-17/h1-3,14-17H,4-7H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 280.15 g/mol, XLogP of 0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 962358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).