(1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol

C19H24N2O2 — CID 110158483

IUPAC(1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol
SMILESCN[C@@H]1CCC[C@@H](Nc2ccccc2Oc2ccccc2)[C@@H]1O
InChIInChI=1S/C19H24N2O2/c1-20-16-11-7-12-17(19(16)22)21-15-10-5-6-13-18(15)23-14-8-3-2-4-9-14/h2-6,8-10,13,16-17,19-22H,7,11-12H2,1H3/t16-,17-,19-/m1/s1
InChIKeyCGVRSUSWDFQEIY-ZHALLVOQSA-N
MW312.41 g/mol
LogP3.39
Rot. Bonds5

About (1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol

(1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol (PubChem CID 110158483) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol
PubChem CID110158483
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol
SMILESCN[C@@H]1CCC[C@@H](Nc2ccccc2Oc2ccccc2)[C@@H]1O
InChIInChI=1S/C19H24N2O2/c1-20-16-11-7-12-17(19(16)22)21-15-10-5-6-13-18(15)23-14-8-3-2-4-9-14/h2-6,8-10,13,16-17,19-22H,7,11-12H2,1H3/t16-,17-,19-/m1/s1
InChIKeyCGVRSUSWDFQEIY-ZHALLVOQSA-N
XLogP3.39
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol?
The IUPAC name of (1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol (CID 110158483) is (1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol is CN[C@@H]1CCC[C@@H](Nc2ccccc2Oc2ccccc2)[C@@H]1O.
What is the InChIKey of (1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol?
The InChIKey is CGVRSUSWDFQEIY-ZHALLVOQSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-20-16-11-7-12-17(19(16)22)21-15-10-5-6-13-18(15)23-14-8-3-2-4-9-14/h2-6,8-10,13,16-17,19-22H,7,11-12H2,1H3/t16-,17-,19-/m1/s1.
What are the key properties of (1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol?
(1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol has a molecular weight of 312.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-2-(methylamino)-6-(2-phenoxyanilino)cyclohexan-1-ol is sourced from PubChem (CID 110158483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).