cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol

C14H21NO — CID 26595121

IUPACcis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol
SMILESCN(C)c1ccc([C@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C14H21NO/c1-15(2)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16/h7-10,13-14,16H,3-6H2,1-2H3/t13-,14-/m1/s1
InChIKeyZXKTVAKRBCYSID-ZIAGYGMSSA-N
MW219.33 g/mol
LogP2.77
Rot. Bonds2

About cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol

cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol (PubChem CID 26595121) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol
PubChem CID26595121
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Namecis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol
SMILESCN(C)c1ccc([C@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C14H21NO/c1-15(2)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16/h7-10,13-14,16H,3-6H2,1-2H3/t13-,14-/m1/s1
InChIKeyZXKTVAKRBCYSID-ZIAGYGMSSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-cyclopentyl-N,N-dimethylaniline
CID 54506338
N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline
CID 10989804
cis-(1R,2R)-2-(4-methylphenyl)cyclopentan-1-ol
CID 26594915
trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol
CID 94503733
4-cyclobutyl-N,N-dimethylaniline
CID 170179749
4-[(1S,2R)-2-hydroxycyclopentyl]phenol
CID 163763811
cis-(1R,2R)-2-(4-propylphenyl)cyclopentan-1-ol
CID 26595070
(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol
CID 95002836
2-(3,4-dimethylphenyl)cyclopentan-1-ol
CID 2758610
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
[(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate
CID 15087947
4-[(4aR,6R,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N-dimethylaniline
CID 100852185

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol (CID 26595121) is cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol is CN(C)c1ccc([C@H]2CCCC[C@H]2O)cc1.
What is the InChIKey of cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol?
The InChIKey is ZXKTVAKRBCYSID-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO/c1-15(2)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16/h7-10,13-14,16H,3-6H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol?
cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 26595121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).