N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline

C16H24FNO — CID 64851558

IUPACN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline
SMILESCC(C)COC1CC(Nc2ccccc2F)C1(C)C
InChIInChI=1S/C16H24FNO/c1-11(2)10-19-15-9-14(16(15,3)4)18-13-8-6-5-7-12(13)17/h5-8,11,14-15,18H,9-10H2,1-4H3
InChIKeyVQIYEJBLKZZGSN-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.08
Rot. Bonds5

About N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline (PubChem CID 64851558) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline
PubChem CID64851558
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline
SMILESCC(C)COC1CC(Nc2ccccc2F)C1(C)C
InChIInChI=1S/C16H24FNO/c1-11(2)10-19-15-9-14(16(15,3)4)18-13-8-6-5-7-12(13)17/h5-8,11,14-15,18H,9-10H2,1-4H3
InChIKeyVQIYEJBLKZZGSN-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
CID 64851695
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
CID 64852729
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline
CID 64852334
4-bromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
CID 107609719
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline
CID 64851194
4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline
CID 64851379
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,1,3-benzoselenadiazol-4-amine
CID 64850981
2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylaniline
CID 64851175
4-bromo-2,3-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 107787809
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline
CID 64853119
2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
CID 115642851
[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol
CID 64850786

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline?
The IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline (CID 64851558) is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline.
What is the SMILES notation for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline?
The canonical SMILES for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline is CC(C)COC1CC(Nc2ccccc2F)C1(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline?
The InChIKey is VQIYEJBLKZZGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11(2)10-19-15-9-14(16(15,3)4)18-13-8-6-5-7-12(13)17/h5-8,11,14-15,18H,9-10H2,1-4H3.
What are the key properties of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline?
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline has a molecular weight of 265.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline is sourced from PubChem (CID 64851558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).