cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol

C24H33NO — CID 158450943

IUPACcis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol
SMILESN[C@H]1CCCC[C@H]1c1ccccc1.O[C@@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C12H17N.C12H16O/c2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,13H2;1-3,6-7,11-13H,4-5,8-9H2/t11-,12-;11-,12+/m00/s1
InChIKeyHDYXUPSTXJJBHN-BCEVLDPDSA-N
MW351.53 g/mol
LogP5.38
Rot. Bonds2

About cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol

cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol (PubChem CID 158450943) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol
PubChem CID158450943
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Namecis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol
SMILESN[C@H]1CCCC[C@H]1c1ccccc1.O[C@@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C12H17N.C12H16O/c2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,13H2;1-3,6-7,11-13H,4-5,8-9H2/t11-,12-;11-,12+/m00/s1
InChIKeyHDYXUPSTXJJBHN-BCEVLDPDSA-N
XLogP5.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol (CID 158450943) is cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol is N[C@H]1CCCC[C@H]1c1ccccc1.O[C@@H]1CCCC[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol?
The InChIKey is HDYXUPSTXJJBHN-BCEVLDPDSA-N. The full InChI is InChI=1S/C12H17N.C12H16O/c2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,13H2;1-3,6-7,11-13H,4-5,8-9H2/t11-,12-;11-,12+/m00/s1.
What are the key properties of cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol?
cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol has a molecular weight of 351.53 g/mol, XLogP of 5.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 158450943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).