2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline

C14H19N3 — CID 13178302

IUPAC2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
SMILESCCc1cccc(CC)c1NCc1cnc[nH]1
InChIInChI=1S/C14H19N3/c1-3-11-6-5-7-12(4-2)14(11)16-9-13-8-15-10-17-13/h5-8,10,16H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyBQBARFBVFIXYEN-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.15
Rot. Bonds5

About 2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline

2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline (PubChem CID 13178302) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
PubChem CID13178302
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
SMILESCCc1cccc(CC)c1NCc1cnc[nH]1
InChIInChI=1S/C14H19N3/c1-3-11-6-5-7-12(4-2)14(11)16-9-13-8-15-10-17-13/h5-8,10,16H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyBQBARFBVFIXYEN-UHFFFAOYSA-N
XLogP3.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684155
N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
CID 13178310
2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762471
N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide
CID 55109216
5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole
CID 24738219
N-(2,6-diethylphenyl)-1H-imidazole-5-carboxamide
CID 110684342
1-[3-(1H-imidazol-5-ylmethylamino)phenyl]ethanone
CID 117003485
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
N-(1H-imidazol-5-ylmethyl)-1,3,5-trimethylpyrazol-4-amine
CID 62762805
ethyl 3-(1H-imidazol-5-ylmethylamino)benzoate
CID 55108831
4-ethoxy-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761547
2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 59728068

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline?
The IUPAC name of 2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline (CID 13178302) is 2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline.
What is the SMILES notation for 2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline?
The canonical SMILES for 2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline is CCc1cccc(CC)c1NCc1cnc[nH]1.
What is the InChIKey of 2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline?
The InChIKey is BQBARFBVFIXYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-11-6-5-7-12(4-2)14(11)16-9-13-8-15-10-17-13/h5-8,10,16H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of 2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline?
2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline has a molecular weight of 229.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline is sourced from PubChem (CID 13178302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).