5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline

C14H20FNO — CID 103590981

IUPAC5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline
SMILESCc1cc(OC2CCCC(C)C2)c(N)cc1F
InChIInChI=1S/C14H20FNO/c1-9-4-3-5-11(6-9)17-14-7-10(2)12(15)8-13(14)16/h7-9,11H,3-6,16H2,1-2H3
InChIKeyNBGKRLVOXMLFFF-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.67
Rot. Bonds2

About 5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline

5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline (PubChem CID 103590981) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline
PubChem CID103590981
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline
SMILESCc1cc(OC2CCCC(C)C2)c(N)cc1F
InChIInChI=1S/C14H20FNO/c1-9-4-3-5-11(6-9)17-14-7-10(2)12(15)8-13(14)16/h7-9,11H,3-6,16H2,1-2H3
InChIKeyNBGKRLVOXMLFFF-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.67
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

4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline
CID 114416205
4-amino-3-(3-methylcyclohexyl)oxybenzonitrile
CID 113444310
ethyl 3-amino-4-(3-methylcyclohexyl)oxybenzoate
CID 61305813
5-(3-methylcyclohexyl)oxynaphthalen-1-amine
CID 82037851
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline
CID 64750398
2-cyclopropyloxy-5-ethyl-4-fluoroaniline
CID 161010618
5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline
CID 66109591
2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline
CID 82508066
[5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine
CID 112619867
3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline
CID 64768691
[6-methyl-4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanol
CID 81237044

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline?
The IUPAC name of 5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline (CID 103590981) is 5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline.
What is the SMILES notation for 5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline?
The canonical SMILES for 5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline is Cc1cc(OC2CCCC(C)C2)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline?
The InChIKey is NBGKRLVOXMLFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9-4-3-5-11(6-9)17-14-7-10(2)12(15)8-13(14)16/h7-9,11H,3-6,16H2,1-2H3.
What are the key properties of 5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline?
5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline has a molecular weight of 237.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline is sourced from PubChem (CID 103590981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).