[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone

C14H17N3O — CID 116577477

IUPAC[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1ccccc1CCN
InChIInChI=1S/C14H17N3O/c1-2-17-10-9-16-14(17)13(18)12-6-4-3-5-11(12)7-8-15/h3-6,9-10H,2,7-8,15H2,1H3
InChIKeyWDFYYSATULAPNL-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.64
Rot. Bonds5

About [2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone

[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone (PubChem CID 116577477) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
PubChem CID116577477
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1ccccc1CCN
InChIInChI=1S/C14H17N3O/c1-2-17-10-9-16-14(17)13(18)12-6-4-3-5-11(12)7-8-15/h3-6,9-10H,2,7-8,15H2,1H3
InChIKeyWDFYYSATULAPNL-UHFFFAOYSA-N
XLogP1.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81477833
(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone
CID 65453989
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
(5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone
CID 65360718
(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone
CID 61314198
(2-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206823
[5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone
CID 116590098
(1-ethylimidazol-2-yl)-(6-methyl-2-pyridinyl)methanone
CID 63977122
[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone
CID 116577736
benzyl 1-ethylimidazole-2-carboxylate tetrafluoroborate
CID 21251925
1-[2-(2-aminoethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 116577483

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone (CID 116577477) is [2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone is CCn1ccnc1C(=O)c1ccccc1CCN.
What is the InChIKey of [2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone?
The InChIKey is WDFYYSATULAPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-17-10-9-16-14(17)13(18)12-6-4-3-5-11(12)7-8-15/h3-6,9-10H,2,7-8,15H2,1H3.
What are the key properties of [2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone?
[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 116577477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).