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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Related Compounds

N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine
CID 79985350
4-benzyl-1-(2-phenylethyl)imidazole
CID 23368311
N-ethyl-2-[1-(2-ethylsulfonylethyl)imidazol-4-yl]ethanamine
CID 106729436
N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine
CID 79984944
N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine
CID 112591360
N-methyl-2-[1-(2-pyridin-4-ylethyl)imidazol-4-yl]ethanamine
CID 79985908
N-ethyl-2-[1-(2-methylbutyl)imidazol-4-yl]ethanamine
CID 79984937
N-ethyl-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-4-yl]ethanamine
CID 79985990
N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79971788
2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 79973090
2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine
CID 79985662
2-[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]-N-ethylethanamine
CID 103040932

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).