(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine

C15H13Cl4NO — CID 156596799

IUPAC(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine
SMILESNC[C@H](OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl4NO/c16-10-2-1-9(13(18)5-10)8-21-15(7-20)12-4-3-11(17)6-14(12)19/h1-6,15H,7-8,20H2/t15-/m0/s1
InChIKeyUPHHLPHPPMXDGG-HNNXBMFYSA-N
MW365.09 g/mol
LogP5.52
Rot. Bonds5

About (2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine

(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine (PubChem CID 156596799) has the molecular formula C15H13Cl4NO and a molecular weight of 365.09 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine
PubChem CID156596799
Molecular FormulaC15H13Cl4NO
Molecular Weight365.09 g/mol
Exact Mass362.98
IUPAC Name(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine
SMILESNC[C@H](OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl4NO/c16-10-2-1-9(13(18)5-10)8-21-15(7-20)12-4-3-11(17)6-14(12)19/h1-6,15H,7-8,20H2/t15-/m0/s1
InChIKeyUPHHLPHPPMXDGG-HNNXBMFYSA-N
XLogP5.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.09
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine?
The IUPAC name of (2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine (CID 156596799) is (2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine?
The canonical SMILES for (2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine is NC[C@H](OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine?
The InChIKey is UPHHLPHPPMXDGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13Cl4NO/c16-10-2-1-9(13(18)5-10)8-21-15(7-20)12-4-3-11(17)6-14(12)19/h1-6,15H,7-8,20H2/t15-/m0/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine?
(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine has a molecular weight of 365.09 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine is sourced from PubChem (CID 156596799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).