2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

C16H23N3O2 — CID 114527450

IUPAC2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCCOc1ccc(OCC)c(NCCc2nccn2C)c1
InChIInChI=1S/C16H23N3O2/c1-4-20-13-6-7-15(21-5-2)14(12-13)17-9-8-16-18-10-11-19(16)3/h6-7,10-12,17H,4-5,8-9H2,1-3H3
InChIKeyHXHYLYBZJXPPBW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.87
Rot. Bonds8

About 2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (PubChem CID 114527450) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
PubChem CID114527450
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCCOc1ccc(OCC)c(NCCc2nccn2C)c1
InChIInChI=1S/C16H23N3O2/c1-4-20-13-6-7-15(21-5-2)14(12-13)17-9-8-16-18-10-11-19(16)3/h6-7,10-12,17H,4-5,8-9H2,1-3H3
InChIKeyHXHYLYBZJXPPBW-UHFFFAOYSA-N
XLogP2.87
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527460
4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527611
4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637048
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline
CID 43524683
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
1-(2-ethoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61215157
2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527506
ethyl 4-amino-3-[2-(1-methylimidazol-2-yl)ethylamino]benzoate
CID 82775115
2,5-diethoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657607
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527496
4-bromo-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527453
2-(1-chloroethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114531766

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The IUPAC name of 2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (CID 114527450) is 2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is CCOc1ccc(OCC)c(NCCc2nccn2C)c1.
What is the InChIKey of 2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The InChIKey is HXHYLYBZJXPPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-20-13-6-7-15(21-5-2)14(12-13)17-9-8-16-18-10-11-19(16)3/h6-7,10-12,17H,4-5,8-9H2,1-3H3.
What are the key properties of 2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline has a molecular weight of 289.38 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 114527450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).