trans-(1R,2R)-2-anilinocyclohexan-1-ol

C12H17NO — CID 10932258

IUPACtrans-(1R,2R)-2-anilinocyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1ccccc1
InChIInChI=1S/C12H17NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-3,6-7,11-14H,4-5,8-9H2/t11-,12-/m1/s1
InChIKeyABSZYEUMTNJQPI-VXGBXAGGSA-N
MW191.27 g/mol
LogP2.40
Rot. Bonds2

About trans-(1R,2R)-2-anilinocyclohexan-1-ol

trans-(1R,2R)-2-anilinocyclohexan-1-ol (PubChem CID 10932258) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-anilinocyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-anilinocyclohexan-1-ol
PubChem CID10932258
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nametrans-(1R,2R)-2-anilinocyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1ccccc1
InChIInChI=1S/C12H17NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-3,6-7,11-14H,4-5,8-9H2/t11-,12-/m1/s1
InChIKeyABSZYEUMTNJQPI-VXGBXAGGSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-anilinocyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-anilinocyclohexan-1-ol (CID 10932258) is trans-(1R,2R)-2-anilinocyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-anilinocyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-anilinocyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Nc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-anilinocyclohexan-1-ol?
The InChIKey is ABSZYEUMTNJQPI-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-3,6-7,11-14H,4-5,8-9H2/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-anilinocyclohexan-1-ol?
trans-(1R,2R)-2-anilinocyclohexan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-anilinocyclohexan-1-ol is sourced from PubChem (CID 10932258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).