2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol

C18H20Cl4N2O2 — CID 46192422

IUPAC2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
SMILESCN(CCN(C)Cc1cc(Cl)cc(Cl)c1O)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C18H20Cl4N2O2/c1-23(9-11-5-13(19)7-15(21)17(11)25)3-4-24(2)10-12-6-14(20)8-16(22)18(12)26/h5-8,25-26H,3-4,9-10H2,1-2H3
InChIKeyAPQAVNLIPVYYGI-UHFFFAOYSA-N
MW438.18 g/mol
LogP5.28
Rot. Bonds7

About 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol

2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol (PubChem CID 46192422) has the molecular formula C18H20Cl4N2O2 and a molecular weight of 438.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
PubChem CID46192422
Molecular FormulaC18H20Cl4N2O2
Molecular Weight438.18 g/mol
Exact Mass436.03
IUPAC Name2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
SMILESCN(CCN(C)Cc1cc(Cl)cc(Cl)c1O)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C18H20Cl4N2O2/c1-23(9-11-5-13(19)7-15(21)17(11)25)3-4-24(2)10-12-6-14(20)8-16(22)18(12)26/h5-8,25-26H,3-4,9-10H2,1-2H3
InChIKeyAPQAVNLIPVYYGI-UHFFFAOYSA-N
XLogP5.28
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.18
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol (CID 46192422) is 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol is CN(CCN(C)Cc1cc(Cl)cc(Cl)c1O)Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol?
The InChIKey is APQAVNLIPVYYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl4N2O2/c1-23(9-11-5-13(19)7-15(21)17(11)25)3-4-24(2)10-12-6-14(20)8-16(22)18(12)26/h5-8,25-26H,3-4,9-10H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol?
2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol has a molecular weight of 438.18 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol is sourced from PubChem (CID 46192422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).