2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine

C20H25ClN2O2 — CID 134195694

IUPAC2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine
SMILESCCOc1cccc(OCCN(C)C)c1/C=N/c1ccc(Cl)c(C)c1
InChIInChI=1S/C20H25ClN2O2/c1-5-24-19-7-6-8-20(25-12-11-23(3)4)17(19)14-22-16-9-10-18(21)15(2)13-16/h6-10,13-14H,5,11-12H2,1-4H3/b22-14+
InChIKeyGGNAFZNQTNOHGX-HYARGMPZSA-N
MW360.89 g/mol
LogP4.74
Rot. Bonds8

About 2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine

2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine (PubChem CID 134195694) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine
PubChem CID134195694
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine
SMILESCCOc1cccc(OCCN(C)C)c1/C=N/c1ccc(Cl)c(C)c1
InChIInChI=1S/C20H25ClN2O2/c1-5-24-19-7-6-8-20(25-12-11-23(3)4)17(19)14-22-16-9-10-18(21)15(2)13-16/h6-10,13-14H,5,11-12H2,1-4H3/b22-14+
InChIKeyGGNAFZNQTNOHGX-HYARGMPZSA-N
XLogP4.74
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine (CID 134195694) is 2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine is CCOc1cccc(OCCN(C)C)c1/C=N/c1ccc(Cl)c(C)c1.
What is the InChIKey of 2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine?
The InChIKey is GGNAFZNQTNOHGX-HYARGMPZSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-5-24-19-7-6-8-20(25-12-11-23(3)4)17(19)14-22-16-9-10-18(21)15(2)13-16/h6-10,13-14H,5,11-12H2,1-4H3/b22-14+.
What are the key properties of 2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine?
2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine has a molecular weight of 360.89 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 134195694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).