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

C18H27NO2 — CID 114747425

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(c2cccc3c2OCCC3)CC1
InChIInChI=1S/C18H27NO2/c1-2-12-19-15-8-10-18(20,11-9-15)16-7-3-5-14-6-4-13-21-17(14)16/h3,5,7,15,19-20H,2,4,6,8-13H2,1H3
InChIKeyJFXNMJYWESMGPX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.14
Rot. Bonds4

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

1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol (PubChem CID 114747425) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol
PubChem CID114747425
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(c2cccc3c2OCCC3)CC1
InChIInChI=1S/C18H27NO2/c1-2-12-19-15-8-10-18(20,11-9-15)16-7-3-5-14-6-4-13-21-17(14)16/h3,5,7,15,19-20H,2,4,6,8-13H2,1H3
InChIKeyJFXNMJYWESMGPX-UHFFFAOYSA-N
XLogP3.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol
CID 114747423
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
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol
CID 114743729
4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol
CID 114743718
3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol
CID 114743211
4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
CID 116546270
N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 114745087
1-(3,4-dihydro-2H-chromen-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 114743136
N-[3-(3,4-dihydro-2H-chromen-8-ylsulfanyloxy)propyl]cyclohexanamine
CID 57145439

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol (CID 114747425) is 1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol is CCCNC1CCC(O)(c2cccc3c2OCCC3)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol?
The InChIKey is JFXNMJYWESMGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-12-19-15-8-10-18(20,11-9-15)16-7-3-5-14-6-4-13-21-17(14)16/h3,5,7,15,19-20H,2,4,6,8-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol?
1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.14, 4 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-(propylamino)cyclohexan-1-ol is sourced from PubChem (CID 114747425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).