trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol

C14H21NO — CID 102730945

IUPACtrans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
SMILESCCc1ccccc1N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H21NO/c1-2-11-7-3-4-8-12(11)15-13-9-5-6-10-14(13)16/h3-4,7-8,13-16H,2,5-6,9-10H2,1H3/t13-,14-/m0/s1
InChIKeyADOUSCGLFGHQQU-KBPBESRZSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds3

About trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol

trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol (PubChem CID 102730945) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
PubChem CID102730945
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nametrans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
SMILESCCc1ccccc1N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H21NO/c1-2-11-7-3-4-8-12(11)15-13-9-5-6-10-14(13)16/h3-4,7-8,13-16H,2,5-6,9-10H2,1H3/t13-,14-/m0/s1
InChIKeyADOUSCGLFGHQQU-KBPBESRZSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-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

Related Compounds

trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol
CID 131701457
2-ethyl-N-(2-methylcyclohexyl)aniline
CID 43095688
trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol
CID 94220692
trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol
CID 102730921
trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol
CID 102732984
2-[2-(2-methoxyethyl)anilino]cyclopentan-1-ol
CID 102905089
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298
(1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 59867302
trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol
CID 106759729
2-(naphthalen-1-ylamino)cycloheptan-1-ol
CID 60897825
2-(2-propan-2-ylanilino)cyclohexan-1-ol
CID 60885259

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol (CID 102730945) is trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol is CCc1ccccc1N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol?
The InChIKey is ADOUSCGLFGHQQU-KBPBESRZSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-11-7-3-4-8-12(11)15-13-9-5-6-10-14(13)16/h3-4,7-8,13-16H,2,5-6,9-10H2,1H3/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol?
trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.96, 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-(2-ethylanilino)cyclohexan-1-ol is sourced from PubChem (CID 102730945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).