trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol

C14H21NO — CID 15550734

IUPACtrans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol
SMILESCc1ccc(C)c(N[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C14H21NO/c1-10-7-8-11(2)13(9-10)15-12-5-3-4-6-14(12)16/h7-9,12,14-16H,3-6H2,1-2H3/t12-,14-/m1/s1
InChIKeyXSTGHBPACSAONC-TZMCWYRMSA-N
MW219.33 g/mol
LogP3.02
Rot. Bonds2

About trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol

trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol (PubChem CID 15550734) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol
PubChem CID15550734
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nametrans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol
SMILESCc1ccc(C)c(N[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C14H21NO/c1-10-7-8-11(2)13(9-10)15-12-5-3-4-6-14(12)16/h7-9,12,14-16H,3-6H2,1-2H3/t12-,14-/m1/s1
InChIKeyXSTGHBPACSAONC-TZMCWYRMSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-amino-2-methylanilino)cyclohexan-1-ol
CID 62590729
trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol
CID 102730941
trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
CID 93345925
trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol
CID 102733136
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
3-[(2-hydroxycycloheptyl)amino]-4-methylbenzonitrile
CID 62103743
2,5-dimethyl-N-(2-phenylcyclohexyl)aniline
CID 43765908
(3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol
CID 93384487
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
2-(3,4-dimethylanilino)cycloheptan-1-ol
CID 60896994
dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol
CID 11503354
2-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 62358499

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol (CID 15550734) is trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol is Cc1ccc(C)c(N[C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol?
The InChIKey is XSTGHBPACSAONC-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-7-8-11(2)13(9-10)15-12-5-3-4-6-14(12)16/h7-9,12,14-16H,3-6H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol?
trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 3.02, 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-(2,5-dimethylanilino)cyclohexan-1-ol is sourced from PubChem (CID 15550734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).