2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

C17H23N3O — CID 114712463

IUPAC2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(c2cncn2CC)Oc2ccccc21
InChIInChI=1S/C17H23N3O/c1-3-9-19-14-10-17(15-11-18-12-20(15)4-2)21-16-8-6-5-7-13(14)16/h5-8,11-12,14,17,19H,3-4,9-10H2,1-2H3
InChIKeyLOCTZEQQMUPSJK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.47
Rot. Bonds5

About 2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712463) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712463
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(c2cncn2CC)Oc2ccccc21
InChIInChI=1S/C17H23N3O/c1-3-9-19-14-10-17(15-11-18-12-20(15)4-2)21-16-8-6-5-7-13(14)16/h5-8,11-12,14,17,19H,3-4,9-10H2,1-2H3
InChIKeyLOCTZEQQMUPSJK-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 114712463) is 2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CC(c2cncn2CC)Oc2ccccc21.
What is the InChIKey of 2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LOCTZEQQMUPSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-9-19-14-10-17(15-11-18-12-20(15)4-2)21-16-8-6-5-7-13(14)16/h5-8,11-12,14,17,19H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).