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

C12H16FN — CID 126973408

IUPAC2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
SMILESCc1ccc(F)c(NC2CCC2C)c1
InChIInChI=1S/C12H16FN/c1-8-3-5-10(13)12(7-8)14-11-6-4-9(11)2/h3,5,7,9,11,14H,4,6H2,1-2H3
InChIKeyURCLGXDCZMYSCO-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.34
Rot. Bonds2

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

2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline (PubChem CID 126973408) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
PubChem CID126973408
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
SMILESCc1ccc(F)c(NC2CCC2C)c1
InChIInChI=1S/C12H16FN/c1-8-3-5-10(13)12(7-8)14-11-6-4-9(11)2/h3,5,7,9,11,14H,4,6H2,1-2H3
InChIKeyURCLGXDCZMYSCO-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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Related Compounds

2-fluoro-5-methyl-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81320855
N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525387
trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
CID 93345925
2,5-difluoro-N-(2-methylcyclopentyl)aniline
CID 65046744
N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline
CID 43122819
N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline
CID 64775137
3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
CID 130171740
2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79541370
4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043893
(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358584
N-[4-fluoro-3-[(2-methylcyclopentyl)amino]phenyl]acetamide
CID 65044597
4-methyl-2-[(2-methylcyclohexyl)amino]benzenecarbothioamide
CID 62307855

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline (CID 126973408) is 2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline is Cc1ccc(F)c(NC2CCC2C)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline?
The InChIKey is URCLGXDCZMYSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-3-5-10(13)12(7-8)14-11-6-4-9(11)2/h3,5,7,9,11,14H,4,6H2,1-2H3.
What are the key properties of 2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline?
2-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 2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline is sourced from PubChem (CID 126973408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).