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

C18H27NO2 — CID 104772399

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(CC2CCOc3ccccc32)CC1
InChIInChI=1S/C18H27NO2/c1-2-19-15-7-10-18(20,11-8-15)13-14-9-12-21-17-6-4-3-5-16(14)17/h3-6,14-15,19-20H,2,7-13H2,1H3
InChIKeyVMMIWEOTIZONBT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.23
Rot. Bonds4

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

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol (PubChem CID 104772399) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol
PubChem CID104772399
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(CC2CCOc3ccccc32)CC1
InChIInChI=1S/C18H27NO2/c1-2-19-15-7-10-18(20,11-8-15)13-14-9-12-21-17-6-4-3-5-16(14)17/h3-6,14-15,19-20H,2,7-13H2,1H3
InChIKeyVMMIWEOTIZONBT-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclopentan-1-ol
CID 104769259
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 104769272
4-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylazepan-4-ol
CID 104769267
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-ol
CID 104769260
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
CID 115907993
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770384
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 104769683
1-(3,4-dihydro-2H-chromen-4-yl)-3-(ethylamino)-2-methylpropan-2-ol
CID 113451561
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 104768402

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol (CID 104772399) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol is CCNC1CCC(O)(CC2CCOc3ccccc32)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol?
The InChIKey is VMMIWEOTIZONBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-19-15-7-10-18(20,11-8-15)13-14-9-12-21-17-6-4-3-5-16(14)17/h3-6,14-15,19-20H,2,7-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.23, 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-4-ylmethyl)-4-(ethylamino)cyclohexan-1-ol is sourced from PubChem (CID 104772399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).