N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline

C16H23F2NO — CID 64852729

IUPACN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
SMILESCC(C)COC1CC(Nc2cc(F)ccc2F)C1(C)C
InChIInChI=1S/C16H23F2NO/c1-10(2)9-20-15-8-14(16(15,3)4)19-13-7-11(17)5-6-12(13)18/h5-7,10,14-15,19H,8-9H2,1-4H3
InChIKeyNEAUHOYUFPJBAP-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.22
Rot. Bonds5

About N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline (PubChem CID 64852729) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
PubChem CID64852729
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
SMILESCC(C)COC1CC(Nc2cc(F)ccc2F)C1(C)C
InChIInChI=1S/C16H23F2NO/c1-10(2)9-20-15-8-14(16(15,3)4)19-13-7-11(17)5-6-12(13)18/h5-7,10,14-15,19H,8-9H2,1-4H3
InChIKeyNEAUHOYUFPJBAP-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline
CID 64851558
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
2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine
CID 114118711
4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline
CID 64851379
2-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methylaniline
CID 64851175
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-ethylaniline
CID 64852334
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-methoxyaniline
CID 64853119
3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633155
4-bromo-2,3-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 107787809
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
CID 64851695
2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 64851754

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline?
The IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline (CID 64852729) is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline.
What is the SMILES notation for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline?
The canonical SMILES for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline is CC(C)COC1CC(Nc2cc(F)ccc2F)C1(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline?
The InChIKey is NEAUHOYUFPJBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-10(2)9-20-15-8-14(16(15,3)4)19-13-7-11(17)5-6-12(13)18/h5-7,10,14-15,19H,8-9H2,1-4H3.
What are the key properties of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline?
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline has a molecular weight of 283.36 g/mol, XLogP of 4.22, 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]-2,5-difluoroaniline is sourced from PubChem (CID 64852729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).