4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

C14H19N3 — CID 114527491

IUPAC4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCCc1ccc(NCCc2nccn2C)cc1
InChIInChI=1S/C14H19N3/c1-3-12-4-6-13(7-5-12)15-9-8-14-16-10-11-17(14)2/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyPGLJKANYXBXQAC-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.64
Rot. Bonds5

About 4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (PubChem CID 114527491) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
PubChem CID114527491
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCCc1ccc(NCCc2nccn2C)cc1
InChIInChI=1S/C14H19N3/c1-3-12-4-6-13(7-5-12)15-9-8-14-16-10-11-17(14)2/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyPGLJKANYXBXQAC-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527511
N-[2-(1-methylimidazol-2-yl)ethyl]-4-methylsulfanylaniline
CID 114527448
3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527468
3,4-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527460
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510
N-[4-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]phenyl]acetamide
CID 61214869
N-[[4-(difluoromethyl)phenyl]methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 115523870
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437741
2-bromo-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 107276228

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The IUPAC name of 4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (CID 114527491) is 4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is CCc1ccc(NCCc2nccn2C)cc1.
What is the InChIKey of 4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The InChIKey is PGLJKANYXBXQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-12-4-6-13(7-5-12)15-9-8-14-16-10-11-17(14)2/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of 4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 114527491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).