N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine

C18H26ClN3O3 — CID 131896758

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine
SMILESCOCCN(CCOc1ccc(Cl)cc1)Cc1nccn1CCOC
InChIInChI=1S/C18H26ClN3O3/c1-23-12-9-21(10-14-25-17-5-3-16(19)4-6-17)15-18-20-7-8-22(18)11-13-24-2/h3-8H,9-15H2,1-2H3
InChIKeyIVZDZLQHLWWUJD-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.71
Rot. Bonds12

About N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine

N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine (PubChem CID 131896758) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine
PubChem CID131896758
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine
SMILESCOCCN(CCOc1ccc(Cl)cc1)Cc1nccn1CCOC
InChIInChI=1S/C18H26ClN3O3/c1-23-12-9-21(10-14-25-17-5-3-16(19)4-6-17)15-18-20-7-8-22(18)11-13-24-2/h3-8H,9-15H2,1-2H3
InChIKeyIVZDZLQHLWWUJD-UHFFFAOYSA-N
XLogP2.71
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine with MolForge

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Related Compounds

ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46998669
1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine
CID 142479985
2-[1-(2-methoxyethyl)imidazol-2-yl]ethanamine
CID 62410004
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 131948411
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 78899266
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
(2S)-2-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]propanoic acid
CID 131905578
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 42818630
1-[1-(2-methoxyethyl)imidazol-2-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 77078626

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine (CID 131896758) is N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine is COCCN(CCOc1ccc(Cl)cc1)Cc1nccn1CCOC.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine?
The InChIKey is IVZDZLQHLWWUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-23-12-9-21(10-14-25-17-5-3-16(19)4-6-17)15-18-20-7-8-22(18)11-13-24-2/h3-8H,9-15H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine?
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine has a molecular weight of 367.88 g/mol, XLogP of 2.71, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 131896758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).