2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol

C23H30FNO — CID 141064411

IUPAC2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
SMILESCN(C)C1CC(Cc2ccc(F)cc2)CCC1(O)CCc1ccccc1
InChIInChI=1S/C23H30FNO/c1-25(2)22-17-20(16-19-8-10-21(24)11-9-19)13-15-23(22,26)14-12-18-6-4-3-5-7-18/h3-11,20,22,26H,12-17H2,1-2H3
InChIKeyBIWVKOVLPRFMEM-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.46
Rot. Bonds6

About 2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol

2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol (PubChem CID 141064411) has the molecular formula C23H30FNO and a molecular weight of 355.50 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
PubChem CID141064411
Molecular FormulaC23H30FNO
Molecular Weight355.50 g/mol
Exact Mass355.23
IUPAC Name2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
SMILESCN(C)C1CC(Cc2ccc(F)cc2)CCC1(O)CCc1ccccc1
InChIInChI=1S/C23H30FNO/c1-25(2)22-17-20(16-19-8-10-21(24)11-9-19)13-15-23(22,26)14-12-18-6-4-3-5-7-18/h3-11,20,22,26H,12-17H2,1-2H3
InChIKeyBIWVKOVLPRFMEM-UHFFFAOYSA-N
XLogP4.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 23105689
4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 23105878
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
CID 23105823
4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol
CID 141062889
1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
CID 23105745
2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol
CID 140978350
4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride
CID 142627369
1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine
CID 20527639
1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)cyclopentan-1-ol
CID 10171578
3-[(4-fluorophenyl)methyl]cycloheptan-1-ol
CID 64514392
N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 102513783
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol
CID 10157071

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The IUPAC name of 2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol (CID 141064411) is 2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol is CN(C)C1CC(Cc2ccc(F)cc2)CCC1(O)CCc1ccccc1.
What is the InChIKey of 2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The InChIKey is BIWVKOVLPRFMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO/c1-25(2)22-17-20(16-19-8-10-21(24)11-9-19)13-15-23(22,26)14-12-18-6-4-3-5-7-18/h3-11,20,22,26H,12-17H2,1-2H3.
What are the key properties of 2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol has a molecular weight of 355.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol is sourced from PubChem (CID 141064411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).