[2-(dimethylamino)cyclohexyl]-diphenylmethanol

C21H27NO — CID 11971775

IUPAC[2-(dimethylamino)cyclohexyl]-diphenylmethanol
SMILESCN(C)C1CCCCC1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-22(2)20-16-10-9-15-19(20)21(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19-20,23H,9-10,15-16H2,1-2H3
InChIKeyNUDUDVWCLPVPBC-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.04
Rot. Bonds4

About [2-(dimethylamino)cyclohexyl]-diphenylmethanol

[2-(dimethylamino)cyclohexyl]-diphenylmethanol (PubChem CID 11971775) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is [2-(dimethylamino)cyclohexyl]-diphenylmethanol.

Molecular Properties

Compound Name[2-(dimethylamino)cyclohexyl]-diphenylmethanol
PubChem CID11971775
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name[2-(dimethylamino)cyclohexyl]-diphenylmethanol
SMILESCN(C)C1CCCCC1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-22(2)20-16-10-9-15-19(20)21(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19-20,23H,9-10,15-16H2,1-2H3
InChIKeyNUDUDVWCLPVPBC-UHFFFAOYSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)cyclohexyl]-diphenylmethanol?
The IUPAC name of [2-(dimethylamino)cyclohexyl]-diphenylmethanol (CID 11971775) is [2-(dimethylamino)cyclohexyl]-diphenylmethanol.
What is the SMILES notation for [2-(dimethylamino)cyclohexyl]-diphenylmethanol?
The canonical SMILES for [2-(dimethylamino)cyclohexyl]-diphenylmethanol is CN(C)C1CCCCC1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(dimethylamino)cyclohexyl]-diphenylmethanol?
The InChIKey is NUDUDVWCLPVPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-22(2)20-16-10-9-15-19(20)21(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19-20,23H,9-10,15-16H2,1-2H3.
What are the key properties of [2-(dimethylamino)cyclohexyl]-diphenylmethanol?
[2-(dimethylamino)cyclohexyl]-diphenylmethanol has a molecular weight of 309.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)cyclohexyl]-diphenylmethanol is sourced from PubChem (CID 11971775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).