3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine

C15H17N3O — CID 61493808

IUPAC3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
SMILESCc1nccn1CCOc1cccc(C#CCN)c1
InChIInChI=1S/C15H17N3O/c1-13-17-8-9-18(13)10-11-19-15-6-2-4-14(12-15)5-3-7-16/h2,4,6,8-9,12H,7,10-11,16H2,1H3
InChIKeyWKXRIOFCRSUMNX-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.58
Rot. Bonds4

About 3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine

3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine (PubChem CID 61493808) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
PubChem CID61493808
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
SMILESCc1nccn1CCOc1cccc(C#CCN)c1
InChIInChI=1S/C15H17N3O/c1-13-17-8-9-18(13)10-11-19-15-6-2-4-14(12-15)5-3-7-16/h2,4,6,8-9,12H,7,10-11,16H2,1H3
InChIKeyWKXRIOFCRSUMNX-UHFFFAOYSA-N
XLogP1.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-(3-chloroprop-1-ynyl)phenoxy]ethyl]-2-methylimidazole
CID 61493662
3-[3-(2-methylimidazol-1-yl)propoxy]benzonitrile
CID 43289188
3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 61493775
3-[5-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 61493810
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
3-[3-(4,4-dimethylpentoxy)phenyl]prop-2-yn-1-amine
CID 114210068
3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]prop-2-yn-1-amine
CID 104564421
2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62446843
1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole
CID 2935203
3-[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 115561292
4-[2-[3-(3-aminoprop-1-ynyl)phenoxy]ethyl]-1-methylpiperazin-2-one
CID 64695183

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine (CID 61493808) is 3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine is Cc1nccn1CCOc1cccc(C#CCN)c1.
What is the InChIKey of 3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is WKXRIOFCRSUMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-13-17-8-9-18(13)10-11-19-15-6-2-4-14(12-15)5-3-7-16/h2,4,6,8-9,12H,7,10-11,16H2,1H3.
What are the key properties of 3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine?
3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine has a molecular weight of 255.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 61493808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).