2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

C14H19N3O — CID 75432507

IUPAC2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCCOc1ccccc1N(C)Cc1nccn1C
InChIInChI=1S/C14H19N3O/c1-4-18-13-8-6-5-7-12(13)17(3)11-14-15-9-10-16(14)2/h5-10H,4,11H2,1-3H3
InChIKeyNNTDHFTTYSMRGC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.46
Rot. Bonds5

About 2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 75432507) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID75432507
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCCOc1ccccc1N(C)Cc1nccn1C
InChIInChI=1S/C14H19N3O/c1-4-18-13-8-6-5-7-12(13)17(3)11-14-15-9-10-16(14)2/h5-10H,4,11H2,1-3H3
InChIKeyNNTDHFTTYSMRGC-UHFFFAOYSA-N
XLogP2.46
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1H-Imidazole, 1-(2-phenoxyethyl)-
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1-(4-Butoxy-phenyl)-1H-imidazole
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2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
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6-(1H-imidazol-1-yl)-2-(5-(4-(2-methoxyphenyl)piperazin-1-yl)pentyl)pyridazin-3(2H)-one
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1-(2-Methoxyphenyl)-4-[4-(2-methylsulfanylimidazol-1-yl)butyl]piperazine
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CID 11825714

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 75432507) is 2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is CCOc1ccccc1N(C)Cc1nccn1C.
What is the InChIKey of 2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is NNTDHFTTYSMRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-18-13-8-6-5-7-12(13)17(3)11-14-15-9-10-16(14)2/h5-10H,4,11H2,1-3H3.
What are the key properties of 2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 75432507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).