trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol

C16H25NO2 — CID 127034401

IUPACtrans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol
SMILESCc1cccc(OCCN[C@@H]2CCCC[C@H]2O)c1C
InChIInChI=1S/C16H25NO2/c1-12-6-5-9-16(13(12)2)19-11-10-17-14-7-3-4-8-15(14)18/h5-6,9,14-15,17-18H,3-4,7-8,10-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyZPTXQQLELDJHCO-HUUCEWRRSA-N
MW263.38 g/mol
LogP2.58
Rot. Bonds5

About trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol (PubChem CID 127034401) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol
PubChem CID127034401
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nametrans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol
SMILESCc1cccc(OCCN[C@@H]2CCCC[C@H]2O)c1C
InChIInChI=1S/C16H25NO2/c1-12-6-5-9-16(13(12)2)19-11-10-17-14-7-3-4-8-15(14)18/h5-6,9,14-15,17-18H,3-4,7-8,10-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyZPTXQQLELDJHCO-HUUCEWRRSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol (CID 127034401) is trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol is Cc1cccc(OCCN[C@@H]2CCCC[C@H]2O)c1C.
What is the InChIKey of trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol?
The InChIKey is ZPTXQQLELDJHCO-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-5-9-16(13(12)2)19-11-10-17-14-7-3-4-8-15(14)18/h5-6,9,14-15,17-18H,3-4,7-8,10-11H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(2,3-dimethylphenoxy)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 127034401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).