N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine

C15H21N3 — CID 79985012

IUPACN-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(CCc2ccccc2)cn1
InChIInChI=1S/C15H21N3/c1-2-16-10-8-15-12-18(13-17-15)11-9-14-6-4-3-5-7-14/h3-7,12-13,16H,2,8-11H2,1H3
InChIKeyIICFCMFKVDKDPO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.28
Rot. Bonds7

About N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine

N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine (PubChem CID 79985012) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine
PubChem CID79985012
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(CCc2ccccc2)cn1
InChIInChI=1S/C15H21N3/c1-2-16-10-8-15-12-18(13-17-15)11-9-14-6-4-3-5-7-14/h3-7,12-13,16H,2,8-11H2,1H3
InChIKeyIICFCMFKVDKDPO-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine (CID 79985012) is N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine is CCNCCc1cn(CCc2ccccc2)cn1.
What is the InChIKey of N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine?
The InChIKey is IICFCMFKVDKDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-16-10-8-15-12-18(13-17-15)11-9-14-6-4-3-5-7-14/h3-7,12-13,16H,2,8-11H2,1H3.
What are the key properties of N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine?
N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 79985012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).