1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine

C14H19N3 — CID 61405160

IUPAC1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine
SMILESCCc1nccn1-c1ccccc1C(C)NC
InChIInChI=1S/C14H19N3/c1-4-14-16-9-10-17(14)13-8-6-5-7-12(13)11(2)15-3/h5-11,15H,4H2,1-3H3
InChIKeyBPVMBEWAQSIIPU-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.72
Rot. Bonds4

About 1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine

1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine (PubChem CID 61405160) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine
PubChem CID61405160
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine
SMILESCCc1nccn1-c1ccccc1C(C)NC
InChIInChI=1S/C14H19N3/c1-4-14-16-9-10-17(14)13-8-6-5-7-12(13)11(2)15-3/h5-11,15H,4H2,1-3H3
InChIKeyBPVMBEWAQSIIPU-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine
CID 113358871
(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol
CID 103960371
1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine
CID 61404968
1-[2-(2-propylimidazol-1-yl)phenyl]propan-1-ol
CID 112679064
1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile
CID 112678369
1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine
CID 79678198
1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine
CID 81150062
(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine
CID 103959121
(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
CID 55182802
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 63158539
3-bromo-4-(2-ethylimidazol-1-yl)pyridine
CID 104778672
5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224764

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine (CID 61405160) is 1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine is CCc1nccn1-c1ccccc1C(C)NC.
What is the InChIKey of 1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine?
The InChIKey is BPVMBEWAQSIIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-14-16-9-10-17(14)13-8-6-5-7-12(13)11(2)15-3/h5-11,15H,4H2,1-3H3.
What are the key properties of 1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine?
1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 61405160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).