3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline

C16H24FN — CID 63455039

IUPAC3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cccc(F)c2C)CC1
InChIInChI=1S/C16H24FN/c1-3-5-13-8-10-14(11-9-13)18-16-7-4-6-15(17)12(16)2/h4,6-7,13-14,18H,3,5,8-11H2,1-2H3
InChIKeyCKOFWJSIZGNUCF-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.90
Rot. Bonds4

About 3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline

3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline (PubChem CID 63455039) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline
PubChem CID63455039
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cccc(F)c2C)CC1
InChIInChI=1S/C16H24FN/c1-3-5-13-8-10-14(11-9-13)18-16-7-4-6-15(17)12(16)2/h4,6-7,13-14,18H,3,5,8-11H2,1-2H3
InChIKeyCKOFWJSIZGNUCF-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline?
The IUPAC name of 3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline (CID 63455039) is 3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline.
What is the SMILES notation for 3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline?
The canonical SMILES for 3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline is CCCC1CCC(Nc2cccc(F)c2C)CC1.
What is the InChIKey of 3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline?
The InChIKey is CKOFWJSIZGNUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-5-13-8-10-14(11-9-13)18-16-7-4-6-15(17)12(16)2/h4,6-7,13-14,18H,3,5,8-11H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline?
3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline has a molecular weight of 249.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline is sourced from PubChem (CID 63455039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).