1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone

C18H25NO2 — CID 114747898

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
SMILESCNC1(CC(=O)c2cccc3c2OCCC3)CCCCC1
InChIInChI=1S/C18H25NO2/c1-19-18(10-3-2-4-11-18)13-16(20)15-9-5-7-14-8-6-12-21-17(14)15/h5,7,9,19H,2-4,6,8,10-13H2,1H3
InChIKeyLAVZKQXWCNHYMJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.51
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone

1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone (PubChem CID 114747898) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
PubChem CID114747898
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
SMILESCNC1(CC(=O)c2cccc3c2OCCC3)CCCCC1
InChIInChI=1S/C18H25NO2/c1-19-18(10-3-2-4-11-18)13-16(20)15-9-5-7-14-8-6-12-21-17(14)15/h5,7,9,19H,2-4,6,8,10-13H2,1H3
InChIKeyLAVZKQXWCNHYMJ-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone
CID 114747975
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
CID 114744040
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747793
1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
CID 105133620
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
CID 114748089
2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114748033
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747936
[1-(aminomethyl)cyclohexyl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748039
(E)-1-(3,4-dihydro-2H-chromen-8-yl)pent-2-en-1-one
CID 103454118
2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone
CID 103450262

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone (CID 114747898) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone is CNC1(CC(=O)c2cccc3c2OCCC3)CCCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
The InChIKey is LAVZKQXWCNHYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-19-18(10-3-2-4-11-18)13-16(20)15-9-5-7-14-8-6-12-21-17(14)15/h5,7,9,19H,2-4,6,8,10-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone?
1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone has a molecular weight of 287.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone is sourced from PubChem (CID 114747898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).