2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol

C22H27NO — CID 69338917

IUPAC2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol
SMILESCN(C)CC1CCCC(=Cc2ccccc2)C1(O)c1ccccc1
InChIInChI=1S/C22H27NO/c1-23(2)17-21-15-9-14-20(16-18-10-5-3-6-11-18)22(21,24)19-12-7-4-8-13-19/h3-8,10-13,16,21,24H,9,14-15,17H2,1-2H3
InChIKeyFBGZPUZKMFXUIR-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.32
Rot. Bonds4

About 2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol

2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol (PubChem CID 69338917) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol
PubChem CID69338917
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol
SMILESCN(C)CC1CCCC(=Cc2ccccc2)C1(O)c1ccccc1
InChIInChI=1S/C22H27NO/c1-23(2)17-21-15-9-14-20(16-18-10-5-3-6-11-18)22(21,24)19-12-7-4-8-13-19/h3-8,10-13,16,21,24H,9,14-15,17H2,1-2H3
InChIKeyFBGZPUZKMFXUIR-UHFFFAOYSA-N
XLogP4.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol?
The IUPAC name of 2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol (CID 69338917) is 2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol.
What is the SMILES notation for 2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol?
The canonical SMILES for 2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol is CN(C)CC1CCCC(=Cc2ccccc2)C1(O)c1ccccc1.
What is the InChIKey of 2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol?
The InChIKey is FBGZPUZKMFXUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-23(2)17-21-15-9-14-20(16-18-10-5-3-6-11-18)22(21,24)19-12-7-4-8-13-19/h3-8,10-13,16,21,24H,9,14-15,17H2,1-2H3.
What are the key properties of 2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol?
2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol has a molecular weight of 321.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol is sourced from PubChem (CID 69338917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).