1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol

C17H25NO2 — CID 114747423

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(c2cccc3c2OCCC3)CC1
InChIInChI=1S/C17H25NO2/c1-2-18-14-8-10-17(19,11-9-14)15-7-3-5-13-6-4-12-20-16(13)15/h3,5,7,14,18-19H,2,4,6,8-12H2,1H3
InChIKeyQOPNJZUCEVNVLC-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.75
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol

1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol (PubChem CID 114747423) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol
PubChem CID114747423
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(c2cccc3c2OCCC3)CC1
InChIInChI=1S/C17H25NO2/c1-2-18-14-8-10-17(19,11-9-14)15-7-3-5-13-6-4-12-20-16(13)15/h3,5,7,14,18-19H,2,4,6,8-12H2,1H3
InChIKeyQOPNJZUCEVNVLC-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol
CID 114747425
1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
CID 114743453
4-(3,4-dihydro-2H-chromen-8-yl)-1-ethylazepan-4-ol
CID 114743484
4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol
CID 114743663
1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol
CID 114743207
4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol
CID 114743718
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol
CID 114743729
3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol
CID 114743211
1-(3,4-dihydro-2H-chromen-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 114743136
1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine
CID 114743921
N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine
CID 114746607
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol
CID 104772399

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol (CID 114747423) is 1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol is CCNC1CCC(O)(c2cccc3c2OCCC3)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol?
The InChIKey is QOPNJZUCEVNVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-18-14-8-10-17(19,11-9-14)15-7-3-5-13-6-4-12-20-16(13)15/h3,5,7,14,18-19H,2,4,6,8-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol?
1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 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)-4-(ethylamino)cyclohexan-1-ol is sourced from PubChem (CID 114747423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).