N-(2,2-dimethylcyclobutyl)-3-fluoroaniline

C12H16FN — CID 130532973

IUPACN-(2,2-dimethylcyclobutyl)-3-fluoroaniline
SMILESCC1(C)CCC1Nc1cccc(F)c1
InChIInChI=1S/C12H16FN/c1-12(2)7-6-11(12)14-10-5-3-4-9(13)8-10/h3-5,8,11,14H,6-7H2,1-2H3
InChIKeyWIEOVGALTGBWJG-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.43
Rot. Bonds2

About N-(2,2-dimethylcyclobutyl)-3-fluoroaniline

N-(2,2-dimethylcyclobutyl)-3-fluoroaniline (PubChem CID 130532973) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(2,2-dimethylcyclobutyl)-3-fluoroaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclobutyl)-3-fluoroaniline
PubChem CID130532973
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC NameN-(2,2-dimethylcyclobutyl)-3-fluoroaniline
SMILESCC1(C)CCC1Nc1cccc(F)c1
InChIInChI=1S/C12H16FN/c1-12(2)7-6-11(12)14-10-5-3-4-9(13)8-10/h3-5,8,11,14H,6-7H2,1-2H3
InChIKeyWIEOVGALTGBWJG-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918656
3-chloro-N-(2,2-dimethylcyclopentyl)aniline
CID 79865179
[3-[(2,2-dimethylcyclopentyl)amino]phenyl]methanol
CID 79859836
N-(2,2-dimethylcyclopentyl)-3-methoxyaniline
CID 79864652
N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345
N-[3-[(2,2-dimethylcyclopentyl)amino]phenyl]acetamide
CID 79864740
N-(3,3-difluorocyclohexyl)-3-fluoroaniline
CID 170406630
N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline
CID 175966834
(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
CID 97358489
N-(3,4-dimethylcyclohexyl)-3-fluoroaniline
CID 64731978
3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 79828479
trans-(1R,2R)-2-(3-fluoroanilino)cyclopentan-1-ol
CID 93345851

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclobutyl)-3-fluoroaniline?
The IUPAC name of N-(2,2-dimethylcyclobutyl)-3-fluoroaniline (CID 130532973) is N-(2,2-dimethylcyclobutyl)-3-fluoroaniline.
What is the SMILES notation for N-(2,2-dimethylcyclobutyl)-3-fluoroaniline?
The canonical SMILES for N-(2,2-dimethylcyclobutyl)-3-fluoroaniline is CC1(C)CCC1Nc1cccc(F)c1.
What is the InChIKey of N-(2,2-dimethylcyclobutyl)-3-fluoroaniline?
The InChIKey is WIEOVGALTGBWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-12(2)7-6-11(12)14-10-5-3-4-9(13)8-10/h3-5,8,11,14H,6-7H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclobutyl)-3-fluoroaniline?
N-(2,2-dimethylcyclobutyl)-3-fluoroaniline has a molecular weight of 193.27 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclobutyl)-3-fluoroaniline is sourced from PubChem (CID 130532973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).