N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine

C14H19N3 — CID 66148577

IUPACN-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1C(C)c1ccccc1
InChIInChI=1S/C14H19N3/c1-3-15-9-14-10-16-11-17(14)12(2)13-7-5-4-6-8-13/h4-8,10-12,15H,3,9H2,1-2H3
InChIKeyRRDVJCBNIOCTBG-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.60
Rot. Bonds5

About N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine

N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 66148577) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine
PubChem CID66148577
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1C(C)c1ccccc1
InChIInChI=1S/C14H19N3/c1-3-15-9-14-10-16-11-17(14)12(2)13-7-5-4-6-8-13/h4-8,10-12,15H,3,9H2,1-2H3
InChIKeyRRDVJCBNIOCTBG-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine
CID 19841742
4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol
CID 18735190
2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66146733
N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149670
N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66151422
2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66146731
2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol
CID 66162781
N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150084
N-[[3-[1-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 114286408
N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66149676
2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151545
2-[[3-[1-(4-methylsulfonylphenyl)ethyl]imidazol-4-yl]methylamino]ethylurea
CID 144843382

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine (CID 66148577) is N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cncn1C(C)c1ccccc1.
What is the InChIKey of N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is RRDVJCBNIOCTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-15-9-14-10-16-11-17(14)12(2)13-7-5-4-6-8-13/h4-8,10-12,15H,3,9H2,1-2H3.
What are the key properties of N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine?
N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66148577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).