N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine

C15H21N3 — CID 105348559

IUPACN-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
SMILESCCNCCc1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C15H21N3/c1-3-16-9-8-14-4-6-15(7-5-14)12-18-11-10-17-13(18)2/h4-7,10-11,16H,3,8-9,12H2,1-2H3
InChIKeyHRYOHELFKQVKIG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.39
Rot. Bonds6

About N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine

N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine (PubChem CID 105348559) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
PubChem CID105348559
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
SMILESCCNCCc1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C15H21N3/c1-3-16-9-8-14-4-6-15(7-5-14)12-18-11-10-17-13(18)2/h4-7,10-11,16H,3,8-9,12H2,1-2H3
InChIKeyHRYOHELFKQVKIG-UHFFFAOYSA-N
XLogP2.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.39
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

N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
CID 115464316
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
1-benzyl-2-methylimidazole
CID 158634472
ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde
CID 155737371
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]guanidine
CID 111196854
disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
CID 139198488
4-(2-chloroethyl)-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 65025844
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860
2-(3-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 54961050
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine (CID 105348559) is N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine is CCNCCc1ccc(Cn2ccnc2C)cc1.
What is the InChIKey of N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine?
The InChIKey is HRYOHELFKQVKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-16-9-8-14-4-6-15(7-5-14)12-18-11-10-17-13(18)2/h4-7,10-11,16H,3,8-9,12H2,1-2H3.
What are the key properties of N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine?
N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 105348559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).