N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline

C17H26FN — CID 43122819

IUPACN-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NC2CCCCC2C(C)(C)C)c1
InChIInChI=1S/C17H26FN/c1-12-9-10-14(18)16(11-12)19-15-8-6-5-7-13(15)17(2,3)4/h9-11,13,15,19H,5-8H2,1-4H3
InChIKeyGHQMCGKFUHGJJO-UHFFFAOYSA-N
MW263.40 g/mol
LogP5.15
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline

N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline (PubChem CID 43122819) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline
PubChem CID43122819
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NC2CCCCC2C(C)(C)C)c1
InChIInChI=1S/C17H26FN/c1-12-9-10-14(18)16(11-12)19-15-8-6-5-7-13(15)17(2,3)4/h9-11,13,15,19H,5-8H2,1-4H3
InChIKeyGHQMCGKFUHGJJO-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-tert-butylcyclohexyl)-2-fluoro-4-methylaniline
CID 43114249
trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
CID 93345925
N-(2-tert-butylcyclohexyl)-3-fluoro-2-methylaniline
CID 55191425
N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline
CID 43095485
N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline
CID 55199009
N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769068
2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
CID 126973408
2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79541370
N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline
CID 43095755
N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525387
2-fluoro-5-methyl-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81320855
4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757052

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline?
The IUPAC name of N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline (CID 43122819) is N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline is Cc1ccc(F)c(NC2CCCCC2C(C)(C)C)c1.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline?
The InChIKey is GHQMCGKFUHGJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-12-9-10-14(18)16(11-12)19-15-8-6-5-7-13(15)17(2,3)4/h9-11,13,15,19H,5-8H2,1-4H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline?
N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline has a molecular weight of 263.40 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline is sourced from PubChem (CID 43122819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).