4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol

C15H24ClNO4 — CID 104643533

IUPAC4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol
SMILESCOCCN(Cc1cc(Cl)cc(OC)c1O)C(C)COC
InChIInChI=1S/C15H24ClNO4/c1-11(10-20-3)17(5-6-19-2)9-12-7-13(16)8-14(21-4)15(12)18/h7-8,11,18H,5-6,9-10H2,1-4H3
InChIKeyOPTHSKQIPBMOEO-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.54
Rot. Bonds9

About 4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol

4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol (PubChem CID 104643533) has the molecular formula C15H24ClNO4 and a molecular weight of 317.81 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol
PubChem CID104643533
Molecular FormulaC15H24ClNO4
Molecular Weight317.81 g/mol
Exact Mass317.14
IUPAC Name4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol
SMILESCOCCN(Cc1cc(Cl)cc(OC)c1O)C(C)COC
InChIInChI=1S/C15H24ClNO4/c1-11(10-20-3)17(5-6-19-2)9-12-7-13(16)8-14(21-4)15(12)18/h7-8,11,18H,5-6,9-10H2,1-4H3
InChIKeyOPTHSKQIPBMOEO-UHFFFAOYSA-N
XLogP2.54
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol (CID 104643533) is 4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol is COCCN(Cc1cc(Cl)cc(OC)c1O)C(C)COC.
What is the InChIKey of 4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol?
The InChIKey is OPTHSKQIPBMOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO4/c1-11(10-20-3)17(5-6-19-2)9-12-7-13(16)8-14(21-4)15(12)18/h7-8,11,18H,5-6,9-10H2,1-4H3.
What are the key properties of 4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol?
4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol has a molecular weight of 317.81 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 104643533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).