2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine

C14H19N3 — CID 115037440

IUPAC2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine
SMILESCCn1cncc1-c1ccccc1CCNC
InChIInChI=1S/C14H19N3/c1-3-17-11-16-10-14(17)13-7-5-4-6-12(13)8-9-15-2/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyFTFWMPCPHWRAHG-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.33
Rot. Bonds5

About 2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine

2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine (PubChem CID 115037440) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine
PubChem CID115037440
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine
SMILESCCn1cncc1-c1ccccc1CCNC
InChIInChI=1S/C14H19N3/c1-3-17-11-16-10-14(17)13-7-5-4-6-12(13)8-9-15-2/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyFTFWMPCPHWRAHG-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-ethylimidazol-4-yl)phenyl]ethanamine
CID 115029288
2-[2-(3-ethylimidazol-4-yl)phenyl]acetic acid
CID 115037733
2-(3-ethylimidazol-4-yl)phenol
CID 67055650
2-(3-ethylimidazol-4-yl)benzoic acid
CID 115029530
5-(2-ethylphenyl)-1-phenylimidazole
CID 160833005
4-bromo-3-(3-ethylimidazol-4-yl)-1H-indole
CID 138691353
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine
CID 84770611
N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine
CID 114401895
2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708000
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine
CID 66118854

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine (CID 115037440) is 2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine is CCn1cncc1-c1ccccc1CCNC.
What is the InChIKey of 2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine?
The InChIKey is FTFWMPCPHWRAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-17-11-16-10-14(17)13-7-5-4-6-12(13)8-9-15-2/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of 2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine?
2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylimidazol-4-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 115037440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).