N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine

C14H19N3 — CID 113314786

IUPACN-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine
SMILESCCNCCc1ccccc1Cn1ccnc1
InChIInChI=1S/C14H19N3/c1-2-15-8-7-13-5-3-4-6-14(13)11-17-10-9-16-12-17/h3-6,9-10,12,15H,2,7-8,11H2,1H3
InChIKeyATMSSINORSUQGQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.08
Rot. Bonds6

About N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine

N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine (PubChem CID 113314786) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine
PubChem CID113314786
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine
SMILESCCNCCc1ccccc1Cn1ccnc1
InChIInChI=1S/C14H19N3/c1-2-15-8-7-13-5-3-4-6-14(13)11-17-10-9-16-12-17/h3-6,9-10,12,15H,2,7-8,11H2,1H3
InChIKeyATMSSINORSUQGQ-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-tridecylphenyl)methyl]imidazole
CID 174856287
N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
CID 115464316
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine
CID 105348525
2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559
1-[[2-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]methyl]imidazole
CID 142579803
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969350
3-(imidazol-1-ylmethyl)benzene-1,2-diol
CID 11159799
4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide
CID 55476034
(E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 24650019
N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 107456470
1-tert-butyl-3-ethyl-2-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]guanidine;hydroiodide
CID 110965621

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine (CID 113314786) is N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine is CCNCCc1ccccc1Cn1ccnc1.
What is the InChIKey of N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine?
The InChIKey is ATMSSINORSUQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-15-8-7-13-5-3-4-6-14(13)11-17-10-9-16-12-17/h3-6,9-10,12,15H,2,7-8,11H2,1H3.
What are the key properties of N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine?
N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine is sourced from PubChem (CID 113314786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).