3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline

C13H18FN — CID 103560797

IUPAC3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCC(C)C1CC(Nc2cccc(F)c2)C1
InChIInChI=1S/C13H18FN/c1-9(2)10-6-13(7-10)15-12-5-3-4-11(14)8-12/h3-5,8-10,13,15H,6-7H2,1-2H3
InChIKeyOQTSUBIDVGBIFN-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.67
Rot. Bonds3

About 3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline

3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline (PubChem CID 103560797) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
PubChem CID103560797
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCC(C)C1CC(Nc2cccc(F)c2)C1
InChIInChI=1S/C13H18FN/c1-9(2)10-6-13(7-10)15-12-5-3-4-11(14)8-12/h3-5,8-10,13,15H,6-7H2,1-2H3
InChIKeyOQTSUBIDVGBIFN-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
N-(3,4-dimethylcyclohexyl)-3-fluoroaniline
CID 64731978
4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline
CID 103561769
N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide
CID 103561319
3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561868
3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561413
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447829
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine
CID 103561131
N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline
CID 103561673
N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline
CID 175966834

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline?
The IUPAC name of 3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline (CID 103560797) is 3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline.
What is the SMILES notation for 3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline?
The canonical SMILES for 3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline is CC(C)C1CC(Nc2cccc(F)c2)C1.
What is the InChIKey of 3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline?
The InChIKey is OQTSUBIDVGBIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(2)10-6-13(7-10)15-12-5-3-4-11(14)8-12/h3-5,8-10,13,15H,6-7H2,1-2H3.
What are the key properties of 3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline?
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline has a molecular weight of 207.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline is sourced from PubChem (CID 103560797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).