trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol

C15H21NO2 — CID 104926539

IUPACtrans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NC1CCOc2ccccc21
InChIInChI=1S/C15H21NO2/c17-14-7-3-2-6-13(14)16-12-9-10-18-15-8-4-1-5-11(12)15/h1,4-5,8,12-14,16-17H,2-3,6-7,9-10H2/t12?,13-,14-/m1/s1
InChIKeyFACCUMLCBBAJBD-ILMHWDKJSA-N
MW247.34 g/mol
LogP2.40
Rot. Bonds2

About trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol (PubChem CID 104926539) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
PubChem CID104926539
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nametrans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NC1CCOc2ccccc21
InChIInChI=1S/C15H21NO2/c17-14-7-3-2-6-13(14)16-12-9-10-18-15-8-4-1-5-11(12)15/h1,4-5,8,12-14,16-17H,2-3,6-7,9-10H2/t12?,13-,14-/m1/s1
InChIKeyFACCUMLCBBAJBD-ILMHWDKJSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933160
2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile
CID 62743006
N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 102671261
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 103903513
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
3-(3,4-dihydro-2H-chromen-4-ylamino)piperidin-2-one
CID 55033102

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol (CID 104926539) is trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1NC1CCOc2ccccc21.
What is the InChIKey of trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol?
The InChIKey is FACCUMLCBBAJBD-ILMHWDKJSA-N. The full InChI is InChI=1S/C15H21NO2/c17-14-7-3-2-6-13(14)16-12-9-10-18-15-8-4-1-5-11(12)15/h1,4-5,8,12-14,16-17H,2-3,6-7,9-10H2/t12?,13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 104926539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).