4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline

C12H15N3O — CID 82471920

IUPAC4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline
SMILESCc1cnc(CCOc2ccc(N)cc2)[nH]1
InChIInChI=1S/C12H15N3O/c1-9-8-14-12(15-9)6-7-16-11-4-2-10(13)3-5-11/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyWFUUTFZKKGXNQU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.92
Rot. Bonds4

About 4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline

4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline (PubChem CID 82471920) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline
PubChem CID82471920
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline
SMILESCc1cnc(CCOc2ccc(N)cc2)[nH]1
InChIInChI=1S/C12H15N3O/c1-9-8-14-12(15-9)6-7-16-11-4-2-10(13)3-5-11/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyWFUUTFZKKGXNQU-UHFFFAOYSA-N
XLogP1.92
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethoxy]aniline
CID 82474929
4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]aniline
CID 82472359
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
2-[2-(4-aminophenoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 82479776
2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol
CID 82470079
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
CID 82222387
4-(2-ethoxyethoxy)aniline
CID 16641299
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
4-[2-(3-methylbutoxy)ethoxy]aniline
CID 43366007

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline?
The IUPAC name of 4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline (CID 82471920) is 4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline.
What is the SMILES notation for 4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline?
The canonical SMILES for 4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline is Cc1cnc(CCOc2ccc(N)cc2)[nH]1.
What is the InChIKey of 4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline?
The InChIKey is WFUUTFZKKGXNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-8-14-12(15-9)6-7-16-11-4-2-10(13)3-5-11/h2-5,8H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline?
4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline has a molecular weight of 217.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline is sourced from PubChem (CID 82471920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).