1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol

C17H26FNO — CID 66181283

IUPAC1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CC(c2ccccc2F)C1
InChIInChI=1S/C17H26FNO/c1-12(2)10-17(3,20)11-19-14-8-13(9-14)15-6-4-5-7-16(15)18/h4-7,12-14,19-20H,8-11H2,1-3H3
InChIKeyRSMPNLFHXUFINY-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.46
Rot. Bonds6

About 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol

1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol (PubChem CID 66181283) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
PubChem CID66181283
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CC(c2ccccc2F)C1
InChIInChI=1S/C17H26FNO/c1-12(2)10-17(3,20)11-19-14-8-13(9-14)15-6-4-5-7-16(15)18/h4-7,12-14,19-20H,8-11H2,1-3H3
InChIKeyRSMPNLFHXUFINY-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol
CID 65107731
2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol
CID 66181051
1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
CID 66179964
2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 66178527
3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634781
N-(2-cyclopropylpropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 113384039
3-(2-fluorophenyl)-N-(2-phenylpropyl)cyclobutan-1-amine
CID 43634457
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]acetate
CID 54921064
3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide
CID 115676927
tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate
CID 107248477
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
2,4-dimethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pentan-2-ol
CID 103982395

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol (CID 66181283) is 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNC1CC(c2ccccc2F)C1.
What is the InChIKey of 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol?
The InChIKey is RSMPNLFHXUFINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12(2)10-17(3,20)11-19-14-8-13(9-14)15-6-4-5-7-16(15)18/h4-7,12-14,19-20H,8-11H2,1-3H3.
What are the key properties of 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol?
1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol has a molecular weight of 279.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66181283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).