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

C23H30FNO — CID 10132889

IUPAC4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
SMILESCN(C)C1(Cc2ccc(F)cc2)CCC(O)(CCc2ccccc2)CC1
InChIInChI=1S/C23H30FNO/c1-25(2)22(18-20-8-10-21(24)11-9-20)14-16-23(26,17-15-22)13-12-19-6-4-3-5-7-19/h3-11,26H,12-18H2,1-2H3
InChIKeyZJCAKNVPGNEKER-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.61
Rot. Bonds6

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

4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol (PubChem CID 10132889) has the molecular formula C23H30FNO and a molecular weight of 355.50 g/mol. Its IUPAC name is 4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
PubChem CID10132889
Molecular FormulaC23H30FNO
Molecular Weight355.50 g/mol
Exact Mass355.23
IUPAC Name4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
SMILESCN(C)C1(Cc2ccc(F)cc2)CCC(O)(CCc2ccccc2)CC1
InChIInChI=1S/C23H30FNO/c1-25(2)22(18-20-8-10-21(24)11-9-20)14-16-23(26,17-15-22)13-12-19-6-4-3-5-7-19/h3-11,26H,12-18H2,1-2H3
InChIKeyZJCAKNVPGNEKER-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The IUPAC name of 4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol (CID 10132889) is 4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol is CN(C)C1(Cc2ccc(F)cc2)CCC(O)(CCc2ccccc2)CC1.
What is the InChIKey of 4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The InChIKey is ZJCAKNVPGNEKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO/c1-25(2)22(18-20-8-10-21(24)11-9-20)14-16-23(26,17-15-22)13-12-19-6-4-3-5-7-19/h3-11,26H,12-18H2,1-2H3.
What are the key properties of 4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol has a molecular weight of 355.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol is sourced from PubChem (CID 10132889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).