2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol

C22H26FNO — CID 69339680

IUPAC2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
SMILESCN(C)CC1CCCC(=Cc2ccccc2)C1(O)c1cccc(F)c1
InChIInChI=1S/C22H26FNO/c1-24(2)16-20-12-6-10-18(14-17-8-4-3-5-9-17)22(20,25)19-11-7-13-21(23)15-19/h3-5,7-9,11,13-15,20,25H,6,10,12,16H2,1-2H3
InChIKeyBGZOREAKVFSCMQ-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.46
Rot. Bonds4

About 2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol

2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol (PubChem CID 69339680) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is 2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
PubChem CID69339680
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
SMILESCN(C)CC1CCCC(=Cc2ccccc2)C1(O)c1cccc(F)c1
InChIInChI=1S/C22H26FNO/c1-24(2)16-20-12-6-10-18(14-17-8-4-3-5-9-17)22(20,25)19-11-7-13-21(23)15-19/h3-5,7-9,11,13-15,20,25H,6,10,12,16H2,1-2H3
InChIKeyBGZOREAKVFSCMQ-UHFFFAOYSA-N
XLogP4.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.46
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-(3-fluorophenyl)cyclohexan-1-ol?
The IUPAC name of 2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol (CID 69339680) is 2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol is CN(C)CC1CCCC(=Cc2ccccc2)C1(O)c1cccc(F)c1.
What is the InChIKey of 2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol?
The InChIKey is BGZOREAKVFSCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO/c1-24(2)16-20-12-6-10-18(14-17-8-4-3-5-9-17)22(20,25)19-11-7-13-21(23)15-19/h3-5,7-9,11,13-15,20,25H,6,10,12,16H2,1-2H3.
What are the key properties of 2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol?
2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol has a molecular weight of 339.45 g/mol, XLogP of 4.46, 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-(3-fluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 69339680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).