2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine

C14H17N3O — CID 114720098

IUPAC2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1C1CCOc2ccccc21
InChIInChI=1S/C14H17N3O/c15-7-5-11-9-16-10-17(11)13-6-8-18-14-4-2-1-3-12(13)14/h1-4,9-10,13H,5-8,15H2
InChIKeySBSKPELPPWZWIT-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.76
Rot. Bonds3

About 2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine

2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine (PubChem CID 114720098) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine
PubChem CID114720098
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1C1CCOc2ccccc21
InChIInChI=1S/C14H17N3O/c15-7-5-11-9-16-10-17(11)13-6-8-18-14-4-2-1-3-12(13)14/h1-4,9-10,13H,5-8,15H2
InChIKeySBSKPELPPWZWIT-UHFFFAOYSA-N
XLogP1.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine
CID 104942975
1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole
CID 114720100
N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 66161723
3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine
CID 114705795
2-(3-cyclobutylimidazol-4-yl)ethanamine
CID 83873401
2-(3-cyclooctylimidazol-4-yl)ethanamine
CID 114716513
[1-(3,4-dihydro-2H-chromen-4-yl)tetrazol-5-yl]methanamine
CID 62736158
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-yl)-4-iodo-3-methylpyrazol-5-amine
CID 55118042
2-[3-(thian-4-yl)imidazol-4-yl]ethanamine
CID 84734602
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine (CID 114720098) is 2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine is NCCc1cncn1C1CCOc2ccccc21.
What is the InChIKey of 2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine?
The InChIKey is SBSKPELPPWZWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-7-5-11-9-16-10-17(11)13-6-8-18-14-4-2-1-3-12(13)14/h1-4,9-10,13H,5-8,15H2.
What are the key properties of 2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine?
2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine has a molecular weight of 243.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114720098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).