3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline

C12H16FN — CID 130171740

IUPAC3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
SMILESCc1cc(F)cc(NC2CCC2C)c1
InChIInChI=1S/C12H16FN/c1-8-5-10(13)7-11(6-8)14-12-4-3-9(12)2/h5-7,9,12,14H,3-4H2,1-2H3
InChIKeyHVQQGJFFJWNPFY-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.34
Rot. Bonds2

About 3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline

3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline (PubChem CID 130171740) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
PubChem CID130171740
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
SMILESCc1cc(F)cc(NC2CCC2C)c1
InChIInChI=1S/C12H16FN/c1-8-5-10(13)7-11(6-8)14-12-4-3-9(12)2/h5-7,9,12,14H,3-4H2,1-2H3
InChIKeyHVQQGJFFJWNPFY-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline?
The IUPAC name of 3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline (CID 130171740) is 3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline.
What is the SMILES notation for 3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline?
The canonical SMILES for 3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline is Cc1cc(F)cc(NC2CCC2C)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline?
The InChIKey is HVQQGJFFJWNPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-5-10(13)7-11(6-8)14-12-4-3-9(12)2/h5-7,9,12,14H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline?
3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline has a molecular weight of 193.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline is sourced from PubChem (CID 130171740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).