trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol

C15H23NO — CID 102731298

IUPACtrans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
SMILESCCc1ccccc1CN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H23NO/c1-2-12-7-3-4-8-13(12)11-16-14-9-5-6-10-15(14)17/h3-4,7-8,14-17H,2,5-6,9-11H2,1H3/t14-,15-/m1/s1
InChIKeyGIGGVULYIYQPJG-HUUCEWRRSA-N
MW233.36 g/mol
LogP2.64
Rot. Bonds4

About trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 102731298) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
PubChem CID102731298
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Nametrans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
SMILESCCc1ccccc1CN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H23NO/c1-2-12-7-3-4-8-13(12)11-16-14-9-5-6-10-15(14)17/h3-4,7-8,14-17H,2,5-6,9-11H2,1H3/t14-,15-/m1/s1
InChIKeyGIGGVULYIYQPJG-HUUCEWRRSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
CID 102734194
2-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 55063844
2-[(2-fluorophenyl)methylamino]cyclopentan-1-ol
CID 60713458
trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
2-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 62358499
4-[(2-ethylphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 64681377

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol (CID 102731298) is trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol is CCc1ccccc1CN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is GIGGVULYIYQPJG-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-12-7-3-4-8-13(12)11-16-14-9-5-6-10-15(14)17/h3-4,7-8,14-17H,2,5-6,9-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102731298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).