trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol

C15H23NO — CID 102730989

IUPACtrans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol
SMILESCC(C)c1cccc(N[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H23NO/c1-11(2)12-6-5-7-13(10-12)16-14-8-3-4-9-15(14)17/h5-7,10-11,14-17H,3-4,8-9H2,1-2H3/t14-,15-/m0/s1
InChIKeyPUQLTHCQHQCVEA-GJZGRUSLSA-N
MW233.36 g/mol
LogP3.53
Rot. Bonds3

About trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol

trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol (PubChem CID 102730989) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol
PubChem CID102730989
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Nametrans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol
SMILESCC(C)c1cccc(N[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H23NO/c1-11(2)12-6-5-7-13(10-12)16-14-8-3-4-9-15(14)17/h5-7,10-11,14-17H,3-4,8-9H2,1-2H3/t14-,15-/m0/s1
InChIKeyPUQLTHCQHQCVEA-GJZGRUSLSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylcyclohexyl)-3-propan-2-ylaniline
CID 43101451
trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol
CID 102732975
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414
trans-(1R,2R)-2-(3-methylsulfanylanilino)cyclohexan-1-ol
CID 102730841
N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55198635
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982
trans-(1R,2R)-2-(3-fluoroanilino)cyclopentan-1-ol
CID 93345851
(1S)-2-(3-chloroanilino)cyclopentan-1-ol
CID 167050048
trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
CID 102733003
trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol
CID 102733058
2-(3-methylsulfanylanilino)cyclopentan-1-ol
CID 60886676
trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
CID 93345904

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol (CID 102730989) is trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol is CC(C)c1cccc(N[C@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol?
The InChIKey is PUQLTHCQHQCVEA-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)12-6-5-7-13(10-12)16-14-8-3-4-9-15(14)17/h5-7,10-11,14-17H,3-4,8-9H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol?
trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol is sourced from PubChem (CID 102730989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).