2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine

C13H16ClN3O — CID 105149496

IUPAC2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(COc1cccc(Cl)c1)c1nccn1C
InChIInChI=1S/C13H16ClN3O/c1-15-12(13-16-6-7-17(13)2)9-18-11-5-3-4-10(14)8-11/h3-8,12,15H,9H2,1-2H3
InChIKeyHCRSYTWEBFTYSZ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.41
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine

2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 105149496) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID105149496
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(COc1cccc(Cl)c1)c1nccn1C
InChIInChI=1S/C13H16ClN3O/c1-15-12(13-16-6-7-17(13)2)9-18-11-5-3-4-10(14)8-11/h3-8,12,15H,9H2,1-2H3
InChIKeyHCRSYTWEBFTYSZ-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 63974321
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylethanamine
CID 105182828
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
1-(3-chlorophenoxy)-N,3-dimethylbutan-2-amine
CID 105077820
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 66144356
[2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105307108
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 63976862
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030418
3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 63975168
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 104794216

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine (CID 105149496) is 2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine is CNC(COc1cccc(Cl)c1)c1nccn1C.
What is the InChIKey of 2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is HCRSYTWEBFTYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-15-12(13-16-6-7-17(13)2)9-18-11-5-3-4-10(14)8-11/h3-8,12,15H,9H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine?
2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 265.74 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105149496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).