2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol

C15H24ClNO4 — CID 66532424

IUPAC2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
SMILESCCOc1cc(Cl)c(CNCCOCCO)cc1OCC
InChIInChI=1S/C15H24ClNO4/c1-3-20-14-9-12(11-17-5-7-19-8-6-18)13(16)10-15(14)21-4-2/h9-10,17-18H,3-8,11H2,1-2H3
InChIKeyVKKKYBJSUXOVRV-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.24
Rot. Bonds11

About 2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol

2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol (PubChem CID 66532424) has the molecular formula C15H24ClNO4 and a molecular weight of 317.81 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
PubChem CID66532424
Molecular FormulaC15H24ClNO4
Molecular Weight317.81 g/mol
Exact Mass317.14
IUPAC Name2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
SMILESCCOc1cc(Cl)c(CNCCOCCO)cc1OCC
InChIInChI=1S/C15H24ClNO4/c1-3-20-14-9-12(11-17-5-7-19-8-6-18)13(16)10-15(14)21-4-2/h9-10,17-18H,3-8,11H2,1-2H3
InChIKeyVKKKYBJSUXOVRV-UHFFFAOYSA-N
XLogP2.24
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 66532270
2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
CID 66533831
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 66532498
2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 106862592
2-[2-[[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethoxy]ethanol
CID 66533707
2-[3-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]propylamino]ethanol
CID 66537972
5-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 66532393
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 66530902
2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66537637
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 66531260
2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine
CID 65302814
2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
CID 60689345

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol (CID 66532424) is 2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol is CCOc1cc(Cl)c(CNCCOCCO)cc1OCC.
What is the InChIKey of 2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol?
The InChIKey is VKKKYBJSUXOVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO4/c1-3-20-14-9-12(11-17-5-7-19-8-6-18)13(16)10-15(14)21-4-2/h9-10,17-18H,3-8,11H2,1-2H3.
What are the key properties of 2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol?
2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol has a molecular weight of 317.81 g/mol, XLogP of 2.24, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 66532424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).