trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol

C21H25NO — CID 102310578

IUPACtrans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol
SMILESO[C@@]1(/C=C/c2ccccc2)CCCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C21H25NO/c23-21(16-14-18-9-3-1-4-10-18)15-8-7-13-20(21)22-17-19-11-5-2-6-12-19/h1-6,9-12,14,16,20,22-23H,7-8,13,15,17H2/b16-14+/t20-,21+/m0/s1
InChIKeyVFPKDQGHEBGGKH-ODOOKIQISA-N
MW307.44 g/mol
LogP4.16
Rot. Bonds5

About trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol

trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol (PubChem CID 102310578) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol
PubChem CID102310578
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Nametrans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol
SMILESO[C@@]1(/C=C/c2ccccc2)CCCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C21H25NO/c23-21(16-14-18-9-3-1-4-10-18)15-8-7-13-20(21)22-17-19-11-5-2-6-12-19/h1-6,9-12,14,16,20,22-23H,7-8,13,15,17H2/b16-14+/t20-,21+/m0/s1
InChIKeyVFPKDQGHEBGGKH-ODOOKIQISA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol (CID 102310578) is trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol is O[C@@]1(/C=C/c2ccccc2)CCCC[C@@H]1NCc1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol?
The InChIKey is VFPKDQGHEBGGKH-ODOOKIQISA-N. The full InChI is InChI=1S/C21H25NO/c23-21(16-14-18-9-3-1-4-10-18)15-8-7-13-20(21)22-17-19-11-5-2-6-12-19/h1-6,9-12,14,16,20,22-23H,7-8,13,15,17H2/b16-14+/t20-,21+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol?
trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol has a molecular weight of 307.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol is sourced from PubChem (CID 102310578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).