1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol

C21H27NO — CID 3718720

IUPAC1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol
SMILESCN(C)c1ccc(C(c2ccccc2)C2(O)CCCCC2)cc1
InChIInChI=1S/C21H27NO/c1-22(2)19-13-11-18(12-14-19)20(17-9-5-3-6-10-17)21(23)15-7-4-8-16-21/h3,5-6,9-14,20,23H,4,7-8,15-16H2,1-2H3
InChIKeyDBWAOLOYJDSWMI-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.58
Rot. Bonds4

About 1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol

1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol (PubChem CID 3718720) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol
PubChem CID3718720
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol
SMILESCN(C)c1ccc(C(c2ccccc2)C2(O)CCCCC2)cc1
InChIInChI=1S/C21H27NO/c1-22(2)19-13-11-18(12-14-19)20(17-9-5-3-6-10-17)21(23)15-7-4-8-16-21/h3,5-6,9-14,20,23H,4,7-8,15-16H2,1-2H3
InChIKeyDBWAOLOYJDSWMI-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol (CID 3718720) is 1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol is CN(C)c1ccc(C(c2ccccc2)C2(O)CCCCC2)cc1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol?
The InChIKey is DBWAOLOYJDSWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-22(2)19-13-11-18(12-14-19)20(17-9-5-3-6-10-17)21(23)15-7-4-8-16-21/h3,5-6,9-14,20,23H,4,7-8,15-16H2,1-2H3.
What are the key properties of 1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol?
1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol has a molecular weight of 309.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 3718720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).