trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol

C14H22N2O — CID 106759729

IUPACtrans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol
SMILESCN(C)c1ccccc1N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H22N2O/c1-16(2)13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)17/h3,5,7,9,12,14-15,17H,4,6,8,10H2,1-2H3/t12-,14-/m0/s1
InChIKeyVRLFWXOAMRSYSR-JSGCOSHPSA-N
MW234.34 g/mol
LogP2.47
Rot. Bonds3

About trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol

trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol (PubChem CID 106759729) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol
PubChem CID106759729
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Nametrans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol
SMILESCN(C)c1ccccc1N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H22N2O/c1-16(2)13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)17/h3,5,7,9,12,14-15,17H,4,6,8,10H2,1-2H3/t12-,14-/m0/s1
InChIKeyVRLFWXOAMRSYSR-JSGCOSHPSA-N
XLogP2.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726471
1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
2-(2-propan-2-ylanilino)cyclohexan-1-ol
CID 60885259
1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 82853207
1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61308054
2-N,2-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,2-diamine
CID 43726475
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869
trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol
CID 93345872
2-(naphthalen-1-ylamino)cycloheptan-1-ol
CID 60897825
trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol
CID 94220692

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol (CID 106759729) is trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol is CN(C)c1ccccc1N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol?
The InChIKey is VRLFWXOAMRSYSR-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(2)13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)17/h3,5,7,9,12,14-15,17H,4,6,8,10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol?
trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol is sourced from PubChem (CID 106759729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).