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

C15H17N3O — CID 61493775

IUPAC3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
SMILESCc1nccn1CCOc1ccccc1C#CCN
InChIInChI=1S/C15H17N3O/c1-13-17-9-10-18(13)11-12-19-15-7-3-2-5-14(15)6-4-8-16/h2-3,5,7,9-10H,8,11-12,16H2,1H3
InChIKeyMEWGBKOHYVPRDM-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.58
Rot. Bonds4

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

3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine (PubChem CID 61493775) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
PubChem CID61493775
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
SMILESCc1nccn1CCOc1ccccc1C#CCN
InChIInChI=1S/C15H17N3O/c1-13-17-9-10-18(13)11-12-19-15-7-3-2-5-14(15)6-4-8-16/h2-3,5,7,9-10H,8,11-12,16H2,1H3
InChIKeyMEWGBKOHYVPRDM-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-[2-(4-chlorobut-1-ynyl)phenoxy]ethyl]-2-methylimidazole
CID 61493698
3-[5-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 61493810
3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 61493808
2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate
CID 61493883
3-[2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 103012935
3-[2-(3-methylsulfonylpropoxy)phenyl]prop-2-yn-1-amine
CID 55161773
3-chloro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961449
3-fluoro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961547
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole
CID 61493455
3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 103181830
methyl 4-amino-3-[2-(2-methylimidazol-1-yl)ethoxy]benzoate
CID 61493916
3-[2-[(3,5-dimethylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 61030126

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine (CID 61493775) is 3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine is Cc1nccn1CCOc1ccccc1C#CCN.
What is the InChIKey of 3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is MEWGBKOHYVPRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-13-17-9-10-18(13)11-12-19-15-7-3-2-5-14(15)6-4-8-16/h2-3,5,7,9-10H,8,11-12,16H2,1H3.
What are the key properties of 3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine?
3-[2-[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-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 61493775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).