N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine

C20H26ClNO2 — CID 3820943

IUPACN-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine
SMILESCOCCN(CCOc1cc(C)cc(C)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H26ClNO2/c1-16-12-17(2)14-20(13-16)24-11-9-22(8-10-23-3)15-18-4-6-19(21)7-5-18/h4-7,12-14H,8-11,15H2,1-3H3
InChIKeyQTBFOZSBQFIGBN-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.48
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine

N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine (PubChem CID 3820943) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine
PubChem CID3820943
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine
SMILESCOCCN(CCOc1cc(C)cc(C)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H26ClNO2/c1-16-12-17(2)14-20(13-16)24-11-9-22(8-10-23-3)15-18-4-6-19(21)7-5-18/h4-7,12-14H,8-11,15H2,1-3H3
InChIKeyQTBFOZSBQFIGBN-UHFFFAOYSA-N
XLogP4.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine (CID 3820943) is N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine is COCCN(CCOc1cc(C)cc(C)c1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine?
The InChIKey is QTBFOZSBQFIGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2/c1-16-12-17(2)14-20(13-16)24-11-9-22(8-10-23-3)15-18-4-6-19(21)7-5-18/h4-7,12-14H,8-11,15H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine?
N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine has a molecular weight of 347.89 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxyethanamine is sourced from PubChem (CID 3820943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).