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

C15H21N3 — CID 115464316

IUPACN-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1Cn1ccnc1C
InChIInChI=1S/C15H21N3/c1-3-16-9-8-14-6-4-5-7-15(14)12-18-11-10-17-13(18)2/h4-7,10-11,16H,3,8-9,12H2,1-2H3
InChIKeyLXXGFVOVGAVXBJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.39
Rot. Bonds6

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

N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine (PubChem CID 115464316) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
PubChem CID115464316
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1Cn1ccnc1C
InChIInChI=1S/C15H21N3/c1-3-16-9-8-14-6-4-5-7-15(14)12-18-11-10-17-13(18)2/h4-7,10-11,16H,3,8-9,12H2,1-2H3
InChIKeyLXXGFVOVGAVXBJ-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-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
CID 105348559
N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine
CID 113314786
2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 146841548
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine
CID 115463396
1-benzyl-2-methylimidazole
CID 158634472
2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole
CID 141394809
N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63974370
N-ethyl-2-[2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]ethanamine
CID 115465118
N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 115464368
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111339766

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine (CID 115464316) is N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine is CCNCCc1ccccc1Cn1ccnc1C.
What is the InChIKey of N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine?
The InChIKey is LXXGFVOVGAVXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-16-9-8-14-6-4-5-7-15(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-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine?
N-ethyl-2-[2-[(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-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 115464316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).