2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine

C13H17N3 — CID 82558268

IUPAC2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine
SMILESNCCn1ccnc1CCc1ccccc1
InChIInChI=1S/C13H17N3/c14-8-10-16-11-9-15-13(16)7-6-12-4-2-1-3-5-12/h1-5,9,11H,6-8,10,14H2
InChIKeyQHAYCCXUPXULFD-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.63
Rot. Bonds5

About 2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine

2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine (PubChem CID 82558268) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine
PubChem CID82558268
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine
SMILESNCCn1ccnc1CCc1ccccc1
InChIInChI=1S/C13H17N3/c14-8-10-16-11-9-15-13(16)7-6-12-4-2-1-3-5-12/h1-5,9,11H,6-8,10,14H2
InChIKeyQHAYCCXUPXULFD-UHFFFAOYSA-N
XLogP1.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 57082680
N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 82558274
2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine
CID 102940394
2-(chloromethyl)-1-(4-phenylbutyl)imidazole
CID 114334337
methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate
CID 82561044
2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine
CID 80694657
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine
CID 82558058
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
2-butyl-1-(2-phenylmethoxyethyl)imidazole
CID 174504062

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine (CID 82558268) is 2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine is NCCn1ccnc1CCc1ccccc1.
What is the InChIKey of 2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine?
The InChIKey is QHAYCCXUPXULFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-8-10-16-11-9-15-13(16)7-6-12-4-2-1-3-5-12/h1-5,9,11H,6-8,10,14H2.
What are the key properties of 2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine?
2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 82558268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).