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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Related Compounds

(3-Methoxy-benzyl)-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096451
2-Propanol, 3-(isopropylamino)-1-(6-(1-(4-methyl-1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069765
2-Propanol, 3-(tert-butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069780
1-(3-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)benzyl)piperidine
CID 44408021
N-(4-ethylphenyl)-N-[3-(1H-imidazol-1-ylmethyl)-4-methoxybenzyl]amine
CID 20956355
1-{2-[3-(5-Methyl-4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-pentyl-urea
CID 10454827
1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)benzyl)piperidine
CID 10475883
1-(4-Imidazol-1-yl-benzylamino)-3-o-tolyloxy-propan-2-ol
CID 14739892
1-[[2-[4-(1H-Imidazol-1-yl)phenoxy]ethyl]amino]-3-[4-(2-methoxyethyl)phenoxy]-2-propanol
CID 14739906
1-[2-[1-(2-Methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15917635
1-[2-(1-Imidazol-1-ylethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 20471574
5-[(2-phenylphenoxy)methyl]-1H-imidazole
CID 44343257

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).