1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol

C19H30FNO — CID 19823654

IUPAC1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
SMILESCCC(O)(CC)CC(N(C)C)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H30FNO/c1-5-18(22,6-2)14-17(21(3)4)19(12-7-13-19)15-8-10-16(20)11-9-15/h8-11,17,22H,5-7,12-14H2,1-4H3
InChIKeyCJZHEIYHTCESRV-UHFFFAOYSA-N
MW307.45 g/mol
LogP4.12
Rot. Bonds7

About 1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol

1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol (PubChem CID 19823654) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is 1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
PubChem CID19823654
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC Name1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
SMILESCCC(O)(CC)CC(N(C)C)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H30FNO/c1-5-18(22,6-2)14-17(21(3)4)19(12-7-13-19)15-8-10-16(20)11-9-15/h8-11,17,22H,5-7,12-14H2,1-4H3
InChIKeyCJZHEIYHTCESRV-UHFFFAOYSA-N
XLogP4.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride
CID 15945630
US11214540, Example 62
CID 142475289
1-(Dimethylamino)-3-methyl-2-phenylpentan-3-ol
CID 214385
1-[2-(Dimethylamino)-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol
CID 46700768
1-[2-(Dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol
CID 135070752
6-(Dimethylamino)-2,3-dimethyl-2-phenyl-3-hexanol
CID 11834795
1-[1-(2-Fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol
CID 11222302
1-[1-(3-Fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol
CID 11254838
1-[1-(4-Fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol
CID 11335331
2-[(Dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 13233395
trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 13233397
cis-(1R,2R)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 13233399

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol?
The IUPAC name of 1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol (CID 19823654) is 1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol.
What is the SMILES notation for 1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol?
The canonical SMILES for 1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol is CCC(O)(CC)CC(N(C)C)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol?
The InChIKey is CJZHEIYHTCESRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO/c1-5-18(22,6-2)14-17(21(3)4)19(12-7-13-19)15-8-10-16(20)11-9-15/h8-11,17,22H,5-7,12-14H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol?
1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol has a molecular weight of 307.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol is sourced from PubChem (CID 19823654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).