2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline

C13H17F2NO — CID 64750398

IUPAC2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline
SMILESCC1CCC(Oc2cc(F)c(N)cc2F)CC1
InChIInChI=1S/C13H17F2NO/c1-8-2-4-9(5-3-8)17-13-7-10(14)12(16)6-11(13)15/h6-9H,2-5,16H2,1H3
InChIKeyGGIWOAHSLBYKBE-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.50
Rot. Bonds2

About 2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline

2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline (PubChem CID 64750398) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline
PubChem CID64750398
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline
SMILESCC1CCC(Oc2cc(F)c(N)cc2F)CC1
InChIInChI=1S/C13H17F2NO/c1-8-2-4-9(5-3-8)17-13-7-10(14)12(16)6-11(13)15/h6-9H,2-5,16H2,1H3
InChIKeyGGIWOAHSLBYKBE-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43094022
4-(difluoromethoxy)-5-fluoro-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 63593630
4-methyl-2-(4-methylcyclohexyl)oxyaniline
CID 64748056
2-cyclopropyloxy-5-ethyl-4-fluoroaniline
CID 161010618
2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline
CID 82508066
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
2,5-difluoro-4-methoxyaniline
CID 45090681
2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79905124
5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline
CID 103590981
4-methyl-3-(4-methylcyclohexyl)oxyaniline
CID 64749048
2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline
CID 114340502
4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline
CID 63592899

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline?
The IUPAC name of 2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline (CID 64750398) is 2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline.
What is the SMILES notation for 2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline?
The canonical SMILES for 2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline is CC1CCC(Oc2cc(F)c(N)cc2F)CC1.
What is the InChIKey of 2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline?
The InChIKey is GGIWOAHSLBYKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8-2-4-9(5-3-8)17-13-7-10(14)12(16)6-11(13)15/h6-9H,2-5,16H2,1H3.
What are the key properties of 2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline?
2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline has a molecular weight of 241.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline is sourced from PubChem (CID 64750398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).